SCHEMBL4744650

SCHEMBL4744650

Cc1oc(-c2cccs2)nc1COc1ccc(CN2CCC[C@@H]2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.57
KDM4E B2RXH2 8/20 0.50
PPARG P37231 6/20 0.49
CD274 Q9NZQ7 2/20 0.49
PPARD Q03181 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.45
PDCD1 Q15116 1/20 0.45
FFAR1 O14842 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4743654 1.00 PPARA (0.57) PPARAKDM4EPPARGCD274PPARD
SCHEMBL4743660 1.00 PPARA (0.57) PPARAKDM4EPPARGCD274PPARD
SCHEMBL4748385 0.93 PPARG (0.58) PPARAKDM4EPPARGCD274PPARD
SCHEMBL4748383 0.93 PPARG (0.58) PPARAKDM4EPPARGCD274PPARD
SCHEMBL4743913 0.92 PPARA (0.54) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4748466 0.92 PPARA (0.54) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4743905 0.92 PPARA (0.54) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4744730 0.91 KDM4E (0.53) PPARAKDM4EPPARGCD274PPARD
SCHEMBL4743960 0.91 KDM4E (0.53) PPARAKDM4EPPARGCD274PPARD
SCHEMBL4744732 0.91 KDM4E (0.53) PPARAKDM4EPPARGCD274PPARD

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