SCHEMBL4743967

SCHEMBL4743967

Cc1oc(-c2cccs2)nc1COc1cccc(COC(=O)C2CCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.49
KDR P35968 1/20 0.45
PPARG P37231 12/20 0.45
PPARD Q03181 3/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL4747104 0.98 PPARA (0.48) PPARAKDRPPARGPPARDKDM4E
SCHEMBL4744571 0.92 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL4744629 0.86 KDR (0.62) PPARAKDRPPARGCYP2C9KCNH2
SCHEMBL4748548 0.86 PPARG (0.55) PPARAKDRPPARGMAPTCYP2C9
SCHEMBL4743666 0.85 KDR (0.60) PPARAKDRPPARGMAPTCYP2C9
SCHEMBL4743931 0.84 KDR (0.61) PPARAKDRPPARGCYP2C9KCNH2
SCHEMBL4744642 0.84 PPARG (0.55) PPARAKDRPPARGCYP2C9KCNH2
SCHEMBL4747247 0.78 POLB (0.62) PPARAKDRPPARGKDM4EALDH1A1
SCHEMBL4748098 0.78 PPARA (0.52) PPARAPPARG
SCHEMBL4743889 0.78 KDM4E (0.54) PPARAKDRPPARGKDM4EALDH1A1

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