SCHEMBL8913896

SCHEMBL8913896

CC1(C)CC[Si](C)(CCCc2ccc(C(=O)Oc3cc(C#N)ccc3-c3ccccc3)cc2)[Si](C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
KDM1A O60341 9/20 0.33
APLNR P35414 1/20 0.31
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
PTGER1 P34995 1/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMD11 O00231 1/20 0.31
PSMD12 O00232 1/20 0.31
PSMD14 O00487 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMD3 O43242 1/20 0.31
PSMC3 P17980 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 1/20 0.31

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
SCHEMBL8913699 0.87 PTGDR2 (0.33) PTGDR2PSMB11PSMD11PSMD12PSMD14
SCHEMBL8922942 0.86 CYP19A1 (0.35) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL8914086 0.84 F2 (0.38)
SCHEMBL8912154 0.81 F2 (0.37)
SCHEMBL8913606 0.80 RARB (0.41)
SCHEMBL6417850 0.77 RARB (0.47) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL6416735 0.76 RARB (0.49) PTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL8912832 0.76 CYP19A1 (0.45) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL8912688 0.76 CYP19A1 (0.45) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL8913744 0.75 MAPT (0.39)

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