SCHEMBL3844301

SCHEMBL3844301

Cn1nc(NCCCOc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(CCCC(F)(F)F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.39
PPARA Q07869 15/20 0.38
PPARD Q03181 8/20 0.38

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
SCHEMBL3844320 0.91 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL3849202 0.90 EPHX2 (0.34)
SCHEMBL3284582 0.90 PPARA (0.39) PPARGPPARA
SCHEMBL3844532 0.88 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL3841090 0.88 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL3848287 0.86 PPARA (0.41) PPARGPPARAPPARD
SCHEMBL3842665 0.85 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL3844300 0.84 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL3287502 0.83 PPARA (0.48) PPARGPPARAPPARD
SCHEMBL3843436 0.82 PPARA (0.46) PPARGPPARAPPARD

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