SCHEMBL3843762

SCHEMBL3843762

CCCCCCCn1nc(NCCc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.50
PPARG P37231 13/20 0.50
PPARD Q03181 11/20 0.49

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 0.92 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3841221 0.90 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL3284498 0.90 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL3842858 0.90 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL3848920 0.89 PPARG (0.43) PPARAPPARGPPARD
SCHEMBL3842013 0.89 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL3841092 0.89 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL3844508 0.88 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3849260 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3842497 0.86 PPARA (0.53) 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