SCHEMBL4726499

SCHEMBL4726499

O=C(O)Cc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
RXRA P19793 8/20 0.46
RXRB P28702 8/20 0.46
RXRG P48443 8/20 0.46
IDO1 P14902 2/20 0.43
PPARD Q03181 5/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
PIK3CA P42336 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
CYP2C9 P11712 1/20 0.40
S1PR1 P21453 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
SCHEMBL6718854 0.87 AGXT (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16914905 0.85 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL12476945 0.81 PTPN1 (0.41) PPARDPPARAPPARG
SCHEMBL4726682 0.80 AKR1C3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2639905 0.80 S1PR1 (0.67) S1PR1
SCHEMBL16269817 0.79 MAOB (0.46) PPARDPPARA
SCHEMBL16269500 0.79 MAOB (0.52) PPARDPPARAPPARG
SCHEMBL12477019 0.79 FFAR1 (0.41) IDO1PPARDPPARAPPARGS1PR1
SCHEMBL16914933 0.79 MAOB (0.44) PPARDPPARAPPARG
SCHEMBL6718970 0.79 RXRA (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed