SCHEMBL7865028

SCHEMBL7865028

C=CCOc1nccc(-c2cccc(C(C)O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.41
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 1/20 0.36
NR4A2 P43354 1/20 0.35
PIK3CA P42336 6/20 0.34
KMO O15229 1/20 0.34
CAMK2D Q13557 4/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
SLC22A1 O15245 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 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
SCHEMBL7785290 0.85 KDM5B (0.36) ALDH1A1PIK3CAKMO
SCHEMBL7856804 0.83 CDK8 (0.38) CDK8BRD4BRD2CREBBPALDH1A1
SCHEMBL7864423 0.83 CDK8 (0.43) CDK8BRD4BRD2CREBBPNR4A2
SCHEMBL8517606 0.81 ASIC3 (0.35) PIK3CAKMODYRK1ACLK4DYRK1B
SCHEMBL12742917 0.75 MAPT (0.34) PIK3CAKMODYRK1ACLK4DYRK1B
SCHEMBL7795334 0.70 KMO (0.36) PIK3CAKMO
SCHEMBL8517692 0.70 ADRB2 (0.39) ALDH1A1DYRK1ACLK4DYRK1BADRB2
SCHEMBL7791012 0.68 KDM5B (0.37) KMO
SCHEMBL7785299 0.68 KMO (0.43) KMO
SCHEMBL13384546 0.68 RXRA (0.39) ALDH1A1SLC22A1LMNACYP1A2ADRB2

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