SCHEMBL3842497

SCHEMBL3842497

CCCCCCCn1c(=O)c(NCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.53
PPARG P37231 14/20 0.53
PPARD Q03181 10/20 0.48

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
SCHEMBL3841175 0.93 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3285481 0.90 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3840362 0.90 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3844032 0.89 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL3841090 0.89 PPARG (0.47) PPARAPPARGPPARD
SCHEMBL3842665 0.88 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL3849260 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3843762 0.86 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL3841092 0.86 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL3849183 0.85 PPARA (0.60) PPARAPPARGPPARD

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed