SCHEMBL3845272

SCHEMBL3845272

CCCCCCCn1c(=O)c(OCCc2ccc(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 17/20 0.53
PPARG P37231 15/20 0.53
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
SCHEMBL3841402 0.90 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3291814 0.90 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3845856 0.90 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL3842642 0.86 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3842224 0.85 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL3848511 0.85 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL3840865 0.83 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3841446 0.83 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3845124 0.82 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL3842497 0.82 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