SCHEMBL3843512

SCHEMBL3843512

CCCCCCCn1c(=O)c(C(Cc2ccccc2)NCCc2ccc(OC(C)(C)C(=O)OCC)cc2)nn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.43
PPARG P37231 8/20 0.43
PPARD Q03181 5/20 0.40
TLR7 Q9NYK1 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
ADRB3 P13945 3/20 0.35

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
SCHEMBL3847350 0.88 PPARA (0.39) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3845612 0.83 PPARA (0.42) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3288281 0.81 PPARA (0.46) PPARAPPARGPPARDTLR7ABCB11
SCHEMBL3285481 0.81 PPARA (0.45) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3284508 0.79 PPARA (0.47) PPARAPPARGPPARDTLR7
SCHEMBL3291814 0.77 PPARA (0.46) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3285953 0.76 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3285097 0.76 PPARA (0.46) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3841065 0.75 PPARA (0.45) PPARAPPARGPPARDADRB3
SCHEMBL6510038 0.75 PPARA (0.51) 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