SCHEMBL8993000

SCHEMBL8993000

COc1cccc(C(OC(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
L3MBTL1 Q9Y468 2/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
FFAR1 O14842 6/20 0.35
USP14 P54578 1/20 0.34
GLS O94925 1/20 0.33
SGPL1 O95470 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
RAB9A P51151 1/20 0.33

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 0.84 BRD4 (0.40) L3MBTL1FFAR1
SCHEMBL15778630 0.72 IDO1 (0.60) MAPT
SCHEMBL8993104 0.72 IDO1 (0.35) USP14
SCHEMBL8992799 0.71 IDO1 (0.46)
SCHEMBL12191689 0.66 CRHBP (0.41) MEN1ALDH1A1MAPTKMT2A
SCHEMBL15155721 0.66 LTB4R (0.36)
SCHEMBL29288338 0.66 NR1H4 (0.47) USP14RAB9A
SCHEMBL8992957 0.65 LMNA (0.37) USP14
SCHEMBL30079928 0.64 USP14 (0.35) USP14
SCHEMBL2140588 0.64 BACE1 (0.37) USP14ALDH1A1

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