SCHEMBL8993104

SCHEMBL8993104

Cc1cccc(C(O)c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
CASR P41180 1/20 0.33
ALOX5 P09917 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
EPHX1 P07099 1/20 0.32
TACR1 P25103 1/20 0.32
RORC P51449 1/20 0.32
GAA P10253 1/20 0.31
KDM5A P29375 1/20 0.31
USP14 P54578 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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 0.88 BRD4 (0.40) IDO1CASRALOX5
SCHEMBL21205403 0.75 IDO1 (0.32) IDO1ALOX5EPHX1KDM5AADRB2
SCHEMBL480241 0.72 FFAR1 (0.37) ALOX5FFAR4
SCHEMBL480243 0.72 FFAR1 (0.37) ALOX5FFAR4
SCHEMBL8993000 0.72 L3MBTL1 (0.35) USP14
SCHEMBL30079928 0.71 USP14 (0.35) IDO1TACR1USP14
SCHEMBL21564743 0.70 USP14 (0.33) IDO1USP14
SCHEMBL22275629 0.69 USP14 (0.35) TACR1USP14
SCHEMBL30079875 0.69 USP14 (0.35) TACR1USP14
SCHEMBL2499335 0.69 PDE2A (0.43) IDO1USP14ADRB2ADRB1

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