SCHEMBL3841402

SCHEMBL3841402

CCCCCCCn1c(=O)c(OCc2ccc(OC(C)(C)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.51
PPARG P37231 16/20 0.51
PPARD Q03181 8/20 0.46

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
SCHEMBL3845272 0.90 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL3284441 0.90 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3848677 0.90 PPARG (0.41) PPARAPPARGPPARD
SCHEMBL3841939 0.87 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3840282 0.87 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3841197 0.85 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3842224 0.82 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL3848511 0.81 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL3845856 0.81 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL3842218 0.81 PPARA (0.36) 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