SCHEMBL4726516

SCHEMBL4726516

Cc1cc(CCCC=NOCCn2c3ccccc3c3ccccc32)ccc1OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
PTGIR P43119 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 1/20 0.40
FFAR4 Q5NUL3 4/20 0.40
PLA2G2A P14555 1/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4730346 0.89 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4727902 0.84 PPARA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4729531 0.83 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4730345 0.79 PPARG (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4729524 0.78 PLA2G2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4729526 0.78 PLA2G2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4727953 0.77 PLA2G2A (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4726512 0.77 PLA2G2A (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4728567 0.74 PPARD (0.53) PPARGPPARDPPARAFFAR4FFAR1
SCHEMBL4726776 0.73 PPARA (0.44) MAPTALDH1A1PPARGPPARDPPARA

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