SCHEMBL7862166

SCHEMBL7862166

C=CCOC(=O)c1ccc(C(C)O)c(-c2ncccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.44
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RHOA P61586 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
FGFR1 P11362 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL7794838 0.85 SNCA (0.42) SNCAADRB2ADRB1ADRB3CYP3A4
SCHEMBL7856827 0.80 LMNA (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7862170 0.80 MEN1 (0.45) SNCAADRB2ADRB1ADRB3CYP3A4
SCHEMBL7863555 0.75 HTT (0.35) ADRB2ADRB1ADRB3KMT2AKDM4E
SCHEMBL7865071 0.75 GABRA1 (0.44) CYP3A4MEN1KMT2AKDM4EALDH1A1
SCHEMBL8839026 0.72 SNCA (0.52) SNCAADRB2ADRB1ADRB3CYP3A4
SCHEMBL11589916 0.71 MAPT (0.58) SNCACYP3A4MEN1KMT2AKDM4E
SCHEMBL9576387 0.70 CYP3A4 (0.58) SNCAADRB2ADRB1ADRB3CYP3A4
SCHEMBL3170529 0.70 SNCA (0.50) SNCAADRB2ADRB1ADRB3CYP3A4
SCHEMBL16372021 0.70 CYP3A4 (0.61) SNCAADRB2ADRB1ADRB3CYP3A4

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