SCHEMBL9901109

SCHEMBL9901109

N[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.53
PTGS1 P23219 3/20 0.53
ALOX15 P16050 3/20 0.53
HIF1A Q16665 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HTR2A P28223 1/20 0.53
PTGS2 P35354 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GRB2 P62993 1/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
IDO1 P14902 2/20 0.51
PTPN1 P18031 2/20 0.49

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
SCHEMBL22444773 0.88 SLC7A5 (0.53) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL17512862 0.86 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL17512864 0.86 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL4438009 0.86 PPARG (0.56) KDM4EPPARGPPARAIDO1KDR
SCHEMBL4795847 0.84 PPARG (0.53) KDM4EPPARGPPARAIDO1KDR
SCHEMBL2908984 0.84 PPARG (0.53) KDM4EPPARGPPARAIDO1KDR
SCHEMBL5792765 0.84 SLC7A5 (0.67) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL5792769 0.84 SLC7A5 (0.67) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL3309849 0.81 GRB2 (0.44) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL3309854 0.81 GRB2 (0.44) SLC7A5PTGS1ALOX15HIF1AKDM4E

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-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed