SCHEMBL8912688

SCHEMBL8912688

C[Si](C)(C)CCCCCCCc1ccc(C(=O)Oc2cc(C#N)ccc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
FAAH O00519 6/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
CES1 P23141 3/20 0.40
RARB P10826 2/20 0.40
APLNR P35414 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
BCHE P06276 1/20 0.37
NAMPT P43490 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL8912832 1.00 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2FAAHPTGDR2
SCHEMBL6416735 0.89 RARB (0.49) CYP19A1CYP11B1CYP11B2PTGDR2RARB
SCHEMBL8922934 0.88 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2FAAHPTGDR2
SCHEMBL6417850 0.88 RARB (0.47) CYP19A1CYP11B1CYP11B2PTGDR2RARB
SCHEMBL8913874 0.87 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2FAAHPTGDR2
SCHEMBL8914877 0.83 PTGDR2 (0.44) CYP19A1CYP11B1CYP11B2FAAHPTGDR2
SCHEMBL8914352 0.82 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2FAAHPTGDR2
SCHEMBL9307105 0.80 F2 (0.47)
SCHEMBL8922942 0.80 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2FAAHPTGDR2
SCHEMBL8913569 0.80 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2PTGDR2APLNR

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-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed