SCHEMBL6504989

SCHEMBL6504989

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3c(-c4ccccc4)noc3C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.69
PPARG P37231 14/20 0.69
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
ATM Q13315 1/20 0.45
PPARD Q03181 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
POLB P06746 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
SCHEMBL5423680 0.84 PPARA (0.51) PPARAPPARGATMPPARDNR1H4
Muraglitazar SCHEMBL676469 0.81 PPARA (1.00) PPARAPPARGCYP2C9KCNH2
SCHEMBL13722049 0.78 PPARA (0.93) PPARAPPARGCYP2C9KCNH2
SCHEMBL10184451 0.78 PPARA (0.72) PPARAPPARGCYP2C9KCNH2
SCHEMBL13718146 0.78 PPARA (0.93) PPARAPPARGCYP2C9KCNH2
SCHEMBL13721992 0.77 PPARA (0.87) PPARAPPARGCYP2C9KCNH2
SCHEMBL13899395 0.77 PPARA (0.63) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073227 0.76 PPARA (0.90) PPARAPPARGCYP2C9KCNH2
SCHEMBL10183853 0.76 PPARA (0.64) PPARAPPARGCYP2C9KCNH2PPARD
SCHEMBL6073514 0.75 PPARA (0.88) PPARAPPARGCYP2C9KCNH2

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-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO disclosed