SCHEMBL8913334

SCHEMBL8913334

C=CCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
PARP10 Q53GL7 2/20 0.44
PARP15 Q460N3 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
THRB P10828 1/20 0.40
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8914817 0.92 F2 (0.46) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL8915970 0.91 F2 (0.48) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL18540053 0.89 THRB (0.49) F2ALDH1A1PARP10RAB9AMAPT
SCHEMBL18540075 0.87 THRB (0.47) F2ALDH1A1PARP10RAB9AMAPT
SCHEMBL2357022 0.86 F2 (0.50) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL8027546 0.86 F2 (0.50) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL19460818 0.85 ALDH1A1 (0.54) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL11133628 0.85 F2 (0.44) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL18540255 0.85 THRB (0.45) F2ALDH1A1PARP10RAB9AMAPT
SCHEMBL15340393 0.85 F2 (0.46) F2ALDH1A1CYP1A2CYP2D6HIF1A

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