SCHEMBL3842005

SCHEMBL3842005

CCCCCCCn1nc(OCCCc2ccc(OC(C)(CCC)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.42
PPARA Q07869 14/20 0.42
PPARD Q03181 8/20 0.42
S1PR4 O95977 4/20 0.41
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR5 Q9H228 3/20 0.41

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
SCHEMBL3842859 0.98 PPARA (0.42) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL3847191 0.96 PPARG (0.42) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL3842292 0.91 PPARG (0.39) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL3845124 0.90 PPARA (0.52) PPARGPPARAPPARD
SCHEMBL3844865 0.90 PPARA (0.48) PPARGPPARAPPARD
SCHEMBL3841408 0.90 PPARA (0.41) PPARGPPARAPPARD
SCHEMBL3845411 0.89 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL3841481 0.88 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL3842418 0.88 PPARA (0.39) PPARGPPARAPPARD
SCHEMBL3842642 0.86 PPARA (0.51) 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 1 patent. 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