SCHEMBL9033295

SCHEMBL9033295

CC(=CC(=O)O)Cc1ccc2c(ccn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CACNA1H O95180 9/20 0.43
▸ CHRNA7 P36544 4/20 0.43
▸ PRKCI P41743 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL9033787 0.84 RORC (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9034115 0.82 PPARG (0.41) —
SCHEMBL5094204 0.82 KDM4E (0.58) CYP2A6FAAHCACNA1HCHRNA7PRKCI
SCHEMBL9465516 0.81 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9032878 0.81 HDAC8 (0.51) —
SCHEMBL9032949 0.81 HTR2C (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9039376 0.81 ICMT (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9032667 0.81 KCNQ3 (0.38) —
SCHEMBL9032977 0.80 OXER1 (0.43) —
SCHEMBL9035315 0.80 OXER1 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 — — EP disclosed
US-5239083-A Anticarcinogenic agents, prostate cancer treatment KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-24 — — US disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 — — EP disclosed
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