SCHEMBL3841400

SCHEMBL3841400

CCCCCCCn1c(=O)c(OCCCc2cccc(OC(C)(CCC)C(=O)O)c2)nn(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 7/20 0.49
PPARD Q03181 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GGPS1 O95749 2/20 0.37
CYP2D6 P10635 1/20 0.37
PLA2G4B P0C869 1/20 0.36
CNOT7 Q9UIV1 1/20 0.36

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
SCHEMBL3845359 0.96 PPARA (0.50) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3869431 0.92 PPARA (0.41) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845812 0.91 PPARA (0.45) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3842224 0.91 PPARA (0.62) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848511 0.90 PPARA (0.64) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3842930 0.90 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3844620 0.89 PPARA (0.48) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3848673 0.89 PPARA (0.44) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3848566 0.89 PPARA (0.39) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840790 0.88 PPARA (0.46) PPARAPPARGPPARDCNR1CNR2

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