SCHEMBL3842727

SCHEMBL3842727

Cn1nc(N(CCCc2ccccc2)CCc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.51
PPARG P37231 14/20 0.49
PPARD Q03181 9/20 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
SCHEMBL3844493 0.97 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3285160 0.91 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3285211 0.90 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3844480 0.89 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3285833 0.87 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL3841966 0.87 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL3841062 0.85 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3841418 0.84 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3286017 0.81 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3284508 0.80 PPARA (0.47) 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