SCHEMBL15518329

SCHEMBL15518329

CCCCCN(CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
ICMT O60725 1/20 0.47
ALB P02768 1/20 0.47
PLA2G2A P14555 1/20 0.44
BLM P54132 1/20 0.44
HTR7 P34969 1/20 0.42
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL7643003 0.86 PLA2G2A (0.46) CNR2PLA2G2ABLM
SCHEMBL6326806 0.85 NPC1 (0.53) CNR2ICMTALBPLA2G2ABLM
SCHEMBL8905205 0.84 CYP3A4 (0.46) CNR2ICMTALBPLA2G2ABLM
SCHEMBL4744062 0.84 NPC1 (0.55) CNR2ICMTALBPLA2G2ABLM
SCHEMBL3982113 0.84 NPC1 (0.55) CNR2ICMTALBPLA2G2ABLM
SCHEMBL10956818 0.84 NPC1 (0.55) CNR2ICMTALBPLA2G2ABLM
SCHEMBL10951817 0.84 NPC1 (0.55) CNR2ICMTALBPLA2G2ABLM
SCHEMBL10952007 0.84 NPC1 (0.55) CNR2ICMTALBPLA2G2ABLM
SCHEMBL11667468 0.82 CNR2 (0.50) CNR2PLA2G2ABLMPPARG
SCHEMBL9463877 0.82 MAPT (0.51) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065679-A1 PRODUCTION OF ENANTIOMERICALLY PURIFIED AMINO ACIDS THE UNIVERSITY OF EDINBURGH (GB) 2014-03-06 US disclosed