SCHEMBL4748465

SCHEMBL4748465

COC(=O)C1CCCCN1Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.53
KDM4E B2RXH2 9/20 0.50
PPARG P37231 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARD Q03181 3/20 0.45
KMT2A Q03164 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
LTA4H P09960 2/20 0.42

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
SCHEMBL4748463 1.00 PPARA (0.53) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4743913 0.98 PPARA (0.54) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4743905 0.98 PPARA (0.54) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4748466 0.98 PPARA (0.54) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4744877 0.93 PPARG (0.54) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4744879 0.93 PPARG (0.54) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4747542 0.92 KDM4E (0.53) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4747541 0.92 KDM4E (0.53) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4747139 0.91 PPARG (0.55) PPARAKDM4EPPARGALDH1A1HPGD
SCHEMBL4747141 0.91 PPARG (0.55) PPARAKDM4EPPARGALDH1A1HPGD

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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed