SCHEMBL8914877

SCHEMBL8914877

C=CCCCCc1ccc(C(=O)Oc2cc(C#N)ccc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 3/20 0.37
FAAH O00519 3/20 0.36
NAMPT P43490 1/20 0.36
FFAR1 O14842 1/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
APLNR P35414 1/20 0.35
PTGER1 P34995 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
RXRA P19793 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
SCHEMBL8914352 0.97 CYP19A1 (0.44) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8913569 0.93 CYP19A1 (0.45) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL6417850 0.87 RARB (0.47) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8914753 0.86 KMT2A (0.49) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL6416735 0.86 RARB (0.49) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8912688 0.83 CYP19A1 (0.45) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL8912832 0.83 CYP19A1 (0.45) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL8913874 0.80 CYP11B1 (0.43) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL8915970 0.80 F2 (0.48) L3MBTL1CYP4F2CYP4A11
SCHEMBL8922934 0.78 CYP19A1 (0.40) PTGDR2CYP19A1CYP11B1CYP11B2KDM1A

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