SCHEMBL5336581

SCHEMBL5336581

CC(O)c1cccc2cccc(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
HTR2A P28223 4/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DNMT1 P26358 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MCL1 Q07820 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 4/20 0.41
CYP1A2 P05177 3/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
GABRB1 P18505 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
SCHEMBL19067390 0.85 GABRA1 (0.58) GABRA1GABRB2HTR2AALDH1A1KMT2A
SCHEMBL8974853 0.79 TSHR (0.46) GABRA1GABRB2HTR2AALDH1A1KMT2A
SCHEMBL31618862 0.76 HPGD (0.52) GABRA1GABRB2ALDH1A1TSHRCYP1A2
SCHEMBL1421008 0.76 HPGD (0.52) GABRA1GABRB2ALDH1A1TSHRCYP1A2
SCHEMBL31340010 0.75 GABRA1 (0.68) GABRA1GABRB2ALDH1A1KMT2AMEN1
SCHEMBL570520 0.75 GABRA1 (0.68) GABRA1GABRB2ALDH1A1KMT2AMEN1
SCHEMBL31733046 0.75 GABRA1 (0.42) GABRA1GABRB2HTR2AKMT2ALMNA
SCHEMBL9861539 0.74 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TSHRCYP1A2
SCHEMBL70219 0.74 ALDH1A1 (0.62) HTR2AALDH1A1KMT2AMEN1DNMT1
SCHEMBL29363189 0.74 ALDH1A1 (0.62) HTR2AALDH1A1KMT2AMEN1DNMT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270916-B2 Recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-18 US disclosed
US-7270916-B2 Recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-18 US disclosed
US-7270916-B2 Recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-18 US disclosed
US-20050026079-A1 Recording medium PARALLEL WIRELESS, INC. 2005-02-03 US disclosed
US-5527948-A SUBSTITUTED NAPHTHYL-ALKENOIC ACIDS FOR TREATING AUTOIMMUNE DISORDERS EISAI CORP. LTD. (JP) 1996-06-18 US disclosed
US-5298649-A Antiinflammatory agents, rheumatic agents and treatment of autoimmune diseases EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0376288-B1 Naphthalene derivative EISAI CO LTD (JP) 1994-03-09 EP disclosed
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed
EP-0376288-A1 Naphthalene derivative Eisai Co., Ltd. (JP) 1990-07-04 EP disclosed