SCHEMBL8913569

SCHEMBL8913569

C=CCCc1ccc(C(=O)Oc2cc(C#N)ccc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
APLNR P35414 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KDM1A O60341 6/20 0.36
PTGER1 P34995 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36

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 0.94 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL8914877 0.93 PTGDR2 (0.44) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL8914753 0.89 KMT2A (0.49) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL6417850 0.83 RARB (0.47) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL6416735 0.82 RARB (0.49) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL8912688 0.80 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2PTGDR2APLNR
SCHEMBL8912832 0.80 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2PTGDR2APLNR
SCHEMBL8913874 0.78 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2PTGDR2APLNR
SCHEMBL8913334 0.78 F2 (0.48) CYP19A1KMT2AL3MBTL1
SCHEMBL11901941 0.77 PTGDR2 (0.50) CYP19A1CYP11B1CYP11B2PTGDR2MEN1

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 5 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-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed