SCHEMBL5459223

SCHEMBL5459223

CCc1[nH]c2ccccc2c1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
BCHE P06276 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP3A4 P08684 2/20 0.43
KIF11 P52732 1/20 0.43
HPGD P15428 2/20 0.41
GPR3 P46089 1/20 0.41

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
SCHEMBL6882102 0.88 HTT (0.55) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL7373159 0.87 DRD2 (0.52) ALDH1A1HTTTSHRKDM4EPOLB
Water SCHEMBL11540986 0.86 HTT (0.53) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL8573983 0.86 DRD2 (0.55) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL5463620 0.86 CHRNB2 (0.65) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL5465366 0.83 CHRNB2 (0.54) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL5456514 0.82 ALDH1A1 (0.54) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL22132140 0.81 CHRNB2 (0.47) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL14193990 0.81 CHRNB2 (0.64) ALDH1A1HTTTSHRKDM4EPOLB
SCHEMBL3743077 0.80 KDM4E (0.67) ALDH1A1TSHRKDM4EMAPTGAA

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