SCHEMBL2297048

SCHEMBL2297048

CCOC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)oc2cc(N)c(C3CC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
RCE1 Q9Y256 1/20 0.45
ALOX5 P09917 1/20 0.45
PRNP P04156 1/20 0.44

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
SCHEMBL2297368 0.95 ALOX5 (0.48) PTGS2MEN1KMT2AKDM4EALDH1A1
Alcohol SCHEMBL9954178 0.94 ALOX5 (0.48) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2298170 0.86 PTGS2 (0.50) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2298781 0.86 ALOX5 (0.61) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3396085 0.86 PTGS2 (0.58) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6118798 0.85 ALOX5 (0.46) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6119297 0.85 ALOX5 (0.48) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2298331 0.85 CYP2C9 (0.46) MEN1KMT2AL3MBTL1GAARCE1
SCHEMBL4790814 0.84 PTGS2 (0.56) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2297094 0.84 CYP2C9 (0.53) PTGS2MEN1KMT2AKDM4EALDH1A1

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
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed