SCHEMBL4747104

SCHEMBL4747104

Cc1oc(-c2cccs2)nc1COc1cccc(COC(=O)C2CCCCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.48
PPARG P37231 11/20 0.46
KDR P35968 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 1/20 0.43
PPARD Q03181 3/20 0.42
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL4743967 0.98 PPARA (0.49) PPARAPPARGKDRALDH1A1LMNA
SCHEMBL4744571 0.94 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL4743931 0.87 KDR (0.61) PPARAPPARGKDRCYP2C9KCNH2
SCHEMBL4744629 0.84 KDR (0.62) PPARAPPARGKDRCYP2C9KCNH2
SCHEMBL4748548 0.83 PPARG (0.55) PPARAPPARGKDRMAPTCYP2C9
SCHEMBL4743666 0.83 KDR (0.60) PPARAPPARGKDRMAPTCYP2C9
SCHEMBL4744642 0.82 PPARG (0.55) PPARAPPARGKDRCYP2C9KCNH2
SCHEMBL4748098 0.81 PPARA (0.52) PPARAPPARG
SCHEMBL4747247 0.79 POLB (0.62) PPARAPPARGKDRALDH1A1LMNA
SCHEMBL4747541 0.78 KDM4E (0.53) PPARAPPARGKDRALDH1A1LMNA

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