SCHEMBL7791012

SCHEMBL7791012

C=CCc1nccc(-c2cccc(C(O)C(F)(F)F)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.37
KMO O15229 5/20 0.36
APP P05067 2/20 0.34
ACSS2 Q9NR19 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
FAAH O00519 1/20 0.31
SCN9A Q15858 1/20 0.31
CETP P11597 2/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL7864423 0.84 CDK8 (0.43) KMOTRPV3
SCHEMBL7785290 0.84 KDM5B (0.36) KDM5BKMOAPPSCN9ACETP
SCHEMBL7795334 0.78 KMO (0.36) KDM5BKMOAPP
SCHEMBL7785299 0.78 KMO (0.43) KDM5BKMOAPP
SCHEMBL8517940 0.73 ASIC3 (0.36) KMOTRPV3
SCHEMBL29257685 0.69 HSP90AA1 (0.54)
SCHEMBL7865028 0.68 CDK8 (0.41) KMO
SCHEMBL7791009 0.67 NTRK1 (0.35) ACSS2
SCHEMBL24653903 0.65 ALDH1A1 (0.44)
SCHEMBL10485175 0.65 MAPT (0.40)

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
EP-0435632-B1 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL CO (JP) 2001-11-28 EP disclosed
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed