SCHEMBL7246776

SCHEMBL7246776

C=CCOc1ccc2c(c1)cc(C(=O)OCC)n2Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAOA P21397 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCB11 O95342 1/20 0.37
F10 P00742 1/20 0.37
CCR2 P41597 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL8385275 0.85 F10 (0.51) EDNRBEDNRANOD2NOD1KDM4E
SCHEMBL7468828 0.85 EDNRB (0.47) EDNRBEDNRANOD2NOD1MAPT
SCHEMBL7247001 0.84 MAPT (0.49) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL7493053 0.83 NOD2 (0.45) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL8387936 0.82 MAPT (0.47) EDNRBEDNRANOD2NOD1MAPT
SCHEMBL7461983 0.82 MAOB (0.46) EDNRBEDNRANOD2NOD1MAPT
SCHEMBL7470558 0.82 NOD2 (0.40) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL7490635 0.80 CCR2 (0.48) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL7244666 0.79 MAPT (0.39) EDNRBEDNRANOD2NOD1KDM4E
SCHEMBL7534493 0.79 F10 (0.41) EDNRBEDNRANOD2NOD1KDM4E

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
US-6670388-B1 Fatty acid synthase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-12-30 US disclosed
WO-2002000620-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-03 WO disclosed