SCHEMBL7864423

SCHEMBL7864423

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.43
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
NR4A2 P43354 1/20 0.37
KMO O15229 3/20 0.35
PTGS2 P35354 1/20 0.35
CAMK2D Q13557 4/20 0.34
PTPN5 P54829 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
SORD Q00796 1/20 0.32
MAPK1 P28482 1/20 0.32
UGT2B7 P16662 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL7791012 0.84 KDM5B (0.37) KMOTRPV3
SCHEMBL7865028 0.83 CDK8 (0.41) CDK8BRD4BRD2CREBBPNR4A2
SCHEMBL8517940 0.80 ASIC3 (0.36) BRD4KMOPTGS2TRPV3LARS1
SCHEMBL7856804 0.76 CDK8 (0.38) CDK8BRD4BRD2CREBBPNR4A2
SCHEMBL29257685 0.72 HSP90AA1 (0.54) MAPK1
SCHEMBL7785290 0.68 KDM5B (0.36) KMO
SCHEMBL8516504 0.68 PTGS2 (0.41) KMOPTGS2LARS1MAPK1CTSL
SCHEMBL29860848 0.67 BRD4 (0.56) CDK8BRD4BRD2CREBBPNR4A2
SCHEMBL10485175 0.67 MAPT (0.40)
SCHEMBL12342764 0.67 HTR7 (0.46) CDK8CAMK2DMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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