SCHEMBL8992895

SCHEMBL8992895

COc1cccc(C(O)c2ccc(CO)cc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CASR P41180 2/20 0.43
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BRD4 O60885 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8992732 0.80 BRD4 (0.40) AOC3L3MBTL1CASRPKMCHRM2
SCHEMBL2093768 0.75 AOC3 (0.59) AOC3L3MBTL1CASRPKMTSHR
SCHEMBL8992789 0.75 TACR1 (0.40) BRD4
SCHEMBL8993113 0.73 CASR (0.51) AOC3L3MBTL1CASRMEN1KMT2A
SCHEMBL8756705 0.72 AOC3 (0.49) AOC3L3MBTL1CASRPKMMAPK1
SCHEMBL96382 0.72 TAAR1 (0.60) AOC3CHRM2CHRM1CHRM3MAOB
SCHEMBL29587500 0.72 TAAR1 (0.60) AOC3CHRM2CHRM1CHRM3MAOB
SCHEMBL8189368 0.71 MAOB (0.47) CASRMAOB
SCHEMBL4822561 0.71 AOC3 (0.54) AOC3L3MBTL1PKMTSHRMAPK1
SCHEMBL477338 0.71 AOC3 (0.54) AOC3L3MBTL1CASRPKMCHRM2

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
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed