SCHEMBL8712760

SCHEMBL8712760

O=c1cc[nH]c(CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.56
CHEK1 O14757 1/20 0.36
NPC1 O15118 2/20 0.34
DAO P14920 2/20 0.32
PDPK1 O15530 1/20 0.31
HTR2C P28335 1/20 0.31
CDK8 P49336 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
BACE1 P56817 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8713689 0.88 GPR84 (0.62) GPR84CHEK1NPC1DAOKDM4E
Acetic Acid SCHEMBL31668831 0.75 GPR84 (0.62) GPR84KDM4EALDH1A1TDP1
SCHEMBL27042187 0.73
SCHEMBL9164438 0.73
SCHEMBL8367403 0.73
SCHEMBL28192196 0.72 GPR84 (0.46) GPR84KDM4EALDH1A1GAAMAPT
SCHEMBL11504164 0.71 GPR84 (0.44) GPR84KDM4EALDH1A1
SCHEMBL1999263 0.70
SCHEMBL27856952 0.68 GPR84 (0.46) GPR84KDM4EALDH1A1GAAMAPT
SCHEMBL27041685 0.68 GPR84 (0.50) GPR84CHEK1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 EP disclosed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 WO disclosed