SCHEMBL3851244

SCHEMBL3851244

CCCCCCCn1c(=O)c(NCCc2ccc(OC(C)(CCC)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.43
PPARG P37231 13/20 0.43
PPARD Q03181 7/20 0.38
AGTR1 P30556 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL3841077 0.95 PPARA (0.46) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL3849260 0.92 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3843706 0.91 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL3849934 0.91 PPARG (0.38) PPARAPPARGS1PR1S1PR3
SCHEMBL3842635 0.89 PPARA (0.47) PPARAPPARGPPARDAGTR1
SCHEMBL3840362 0.89 PPARA (0.43) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL3841221 0.88 PPARA (0.41) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL3849215 0.88 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3841459 0.87 PKM (0.34) PPARAPPARGPPARD
SCHEMBL3285183 0.87 PPARA (0.42) 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 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