SCHEMBL7856804

SCHEMBL7856804

C=CCC(=O)Oc1nccc(-c2cccc(C(C)O)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.38
KMO O15229 3/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
CAMK2D Q13557 1/20 0.34
PIK3CA P42336 5/20 0.34
LARS1 Q9P2J5 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NR4A2 P43354 1/20 0.33
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
ATR Q13535 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL7795334 0.87 KMO (0.36) KMOPIK3CA
SCHEMBL7865028 0.83 CDK8 (0.41) CDK8KMOBRD4BRD2CREBBP
SCHEMBL7864423 0.76 CDK8 (0.43) CDK8KMOBRD4BRD2CREBBP
SCHEMBL7856801 0.70 HCRTR1 (0.34) ALDH1A1
SCHEMBL7785290 0.70 KDM5B (0.36) KMOPIK3CAALDH1A1
SCHEMBL8517606 0.66 ASIC3 (0.35) KMOPIK3CAJAK2JAK1TYK2
SCHEMBL7785299 0.64 KMO (0.43) KMO
SCHEMBL7867258 0.64 ADRB2 (0.35) ALDH1A1LMNA
SCHEMBL7791012 0.62 KDM5B (0.37) KMO
SCHEMBL7863555 0.62 HTT (0.35) ALDH1A1LMNA

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