SCHEMBL6165536

SCHEMBL6165536

O=C(O)Cc1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
PTGER4 P35408 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39

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
SCHEMBL27584938 0.84 MCHR1 (0.46) MCHR1NPC1RAB9AKDM4EMAPT
SCHEMBL2305503 0.84 MCHR1 (0.46) MCHR1NPC1RAB9AKDM4EMAPT
SCHEMBL5861693 0.81 ALDH1A1 (0.49) MCHR1NPC1RAB9AKDM4EMAPT
SCHEMBL2063655 0.79 NPC1 (0.61) MCHR1NPC1RAB9AKDM4EMAPT
SCHEMBL5860708 0.77 ESR1 (0.42) MCHR1NPC1RAB9AKDM4EMAPT
SCHEMBL892196 0.77 MCHR1 (0.54) MCHR1NPC1RAB9AKDM4EMAPT
SCHEMBL5861924 0.74 PPARD (0.58) MAPTALDH1A1HPGDPPARDPPARA
SCHEMBL5860821 0.74 FFAR4 (0.54) PPARDPPARAPTGER4FFAR4FFAR1
SCHEMBL5862763 0.74 PPARD (0.60) PPARDPPARA
SCHEMBL5861814 0.74 PPARD (0.50) PTGDR2PPARDPPARAFFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 WO disclosed