SCHEMBL3841071

SCHEMBL3841071

Cn1nc(CCCCCCCNCCc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.48
PPARG P37231 10/20 0.48
PPARD Q03181 8/20 0.48
ADRB3 P13945 3/20 0.48
ALDH1A1 P00352 1/20 0.44
FABP2 P12104 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3845617 0.89 PPARA (0.42) PPARAPPARGPPARDADRB3
SCHEMBL3841460 0.79 PPARA (0.59) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL3841065 0.75 PPARA (0.45) PPARAPPARGPPARDADRB3
SCHEMBL12328025 0.75 ADRB3 (0.67) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL3840876 0.75 ADRB3 (0.67) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL3848024 0.74 ADRB3 (0.73) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL3843762 0.74 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL3285211 0.73 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3842497 0.72 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL3844493 0.72 PPARA (0.48) PPARAPPARGPPARDADRB3

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