SCHEMBL5465366

SCHEMBL5465366

CCCCc1[nH]c2ccccc2c1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 4/20 0.52
POLB P06746 1/20 0.51
TSHR P16473 3/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
OXER1 Q8TDS5 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5456514 0.95 ALDH1A1 (0.54) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL5463620 0.90 CHRNB2 (0.65) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL28987798 0.88 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL28674730 0.85 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL5409935 0.83 CHRNB2 (0.60) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL5459223 0.83 ALDH1A1 (0.50) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL17154322 0.83 KCNH2 (0.64) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL31091563 0.82 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL19734471 0.81 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL8573983 0.81 DRD2 (0.55) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606887-A1 DIINDOLYLMETHANE, PRECURSOR AND DERIVATIVES THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING LIVER DISEASES Nanjing University (CN) 2013-06-26 EP claimed
CN-102370638-A Application of 3,3'-diindolylmethane and 3,3'-diindolylmethane derivatives in preparation of drugs for treating liver diseases NANJING UNIVERSITY 2012-03-14 CN claimed
US-20040058897-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2004-03-25 US claimed
US-6605605-B2 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2003-08-12 US claimed
EP-0971890-B1 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS TEXAS A & M UNIV SYS (US) 2002-11-27 EP claimed
US-20020058648-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2002-05-16 US claimed
EP-0971890-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-01-19 EP claimed
US-5948808-A Indole-3-carbinol, diindolylmethane and substituted analogs as antiestrogens THE TEXAS A&M UNIVERSITY SYSTEM (US) 1999-09-07 US claimed
WO-1998050357-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1998-11-12 WO claimed
CN-108245509-A The application of DIM and its derivative in preparing prevention chemotherapy and causing damage medicine 南京大学 2018-07-06 CN disclosed
CN-105030766-A Indole-3-carbinol, di-indolyl methane and application of derivatives of indole-3-carbinol and di-indolyl methane to medicine for treating allergic pharyngitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-11-11 CN disclosed
CN-105012297-A Use of indole-3-carbinol, bis-indolymethane and derivatives thereof in drugs for treatment on contact dermatitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-104997772-A Application of indole-3-methanol, diindolylmethane and derivatives thereof in drugs used for treating psoriasis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-10-28 CN disclosed
CN-104940194-A Application of benzpyrole-3-methyl alcohol, diindolylmethane and ramification thereof used for medicine for treating refractory periodontitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-09-30 CN disclosed
US-6605605-B2 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2003-08-12 US disclosed
EP-0971890-B1 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS TEXAS A & M UNIV SYS (US) 2002-11-27 EP disclosed
US-20020058648-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2002-05-16 US disclosed
EP-0971890-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-01-19 EP disclosed
US-5948808-A Indole-3-carbinol, diindolylmethane and substituted analogs as antiestrogens THE TEXAS A&M UNIVERSITY SYSTEM (US) 1999-09-07 US disclosed
WO-1998050357-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1998-11-12 WO disclosed