SCHEMBL3841977

SCHEMBL3841977

CCCCCCCn1c(=O)c(NCCCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCC#N)c1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.54
PPARG P37231 12/20 0.54
PPARD Q03181 6/20 0.47
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL3843334 0.93 PPARA (0.60) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3286817 0.92 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL3848276 0.92 PPARA (0.44) PPARAPPARGPPARDADORA3
SCHEMBL3841451 0.91 PPARA (0.58) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840924 0.91 PPARA (0.43) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840831 0.90 PPARA (0.61) PPARAPPARGPPARDADORA3
SCHEMBL3851018 0.89 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL3286740 0.88 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841453 0.88 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3839990 0.87 PPARA (0.61) PPARAPPARGPPARDADORA3

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