SCHEMBL8992732

SCHEMBL8992732

COc1cccc(C(O)c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
AOC3 Q16853 2/20 0.38
PKM P14618 1/20 0.38
ALOX5 P09917 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CASR P41180 2/20 0.36
FFAR1 O14842 1/20 0.35
MAOB P27338 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL8993104 0.88 IDO1 (0.35) ALOX5IDO1CASR
SCHEMBL8993000 0.84 L3MBTL1 (0.35) L3MBTL1FFAR1
SCHEMBL8992895 0.80 AOC3 (0.45) BRD4AOC3PKML3MBTL1CASR
SCHEMBL15778630 0.77 IDO1 (0.60) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL8992789 0.76 TACR1 (0.40) BRD4FFAR1
SCHEMBL8992799 0.75 IDO1 (0.46) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL12191689 0.70 CRHBP (0.41) MAOB
SCHEMBL8136938 0.70 LMNA (0.41) FFAR1
SCHEMBL480243 0.70 FFAR1 (0.37) BRD4ALOX5FFAR1MAOB
SCHEMBL480241 0.70 FFAR1 (0.37) BRD4ALOX5FFAR1MAOB

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