SCHEMBL8914817

SCHEMBL8914817

C=CCCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
RAB9A P51151 1/20 0.42
THRB P10828 2/20 0.42
MAPT P10636 2/20 0.41
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
MGLL Q99685 2/20 0.40
POLB P06746 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL8915970 0.96 F2 (0.48) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL8913334 0.92 F2 (0.48) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL18763586 0.87 ALDH1A1 (0.59) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL16848610 0.87 F2 (0.52) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL16848602 0.87 F2 (0.52) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL16848604 0.87 F2 (0.52) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL8912462 0.86 ALDH1A1 (0.55) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL8027546 0.84 F2 (0.50) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL2357022 0.84 F2 (0.50) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL18777291 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP1A2CYP2D6HIF1A

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 7 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
US-4709030-A 4-ALKENYL OR 2Z-ALKENYL POLYPHENYL COMPOUNDS; ELECTRO-OPTICS HOFFMANN-LA ROCHE INC. (US) 1987-11-24 US disclosed
US-4621901-A ELECTROOPTICS HOFFMANN-LA ROCHE INC. (US) 1986-11-11 US disclosed