SCHEMBL3840985

SCHEMBL3840985

CCCCCCCn1nc(NCCCCc2cccc(SC(C)(CCC)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.36
PPARA Q07869 6/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TP53 P04637 2/20 0.35
SMPD1 P17405 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
IDE P14735 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL3849410 0.93 PPARG (0.40) PPARGPPARAMAOAMAOBTP53
SCHEMBL3840711 0.92 MAOA (0.33) PPARGPPARAMAOAMAOBKDM4E
SCHEMBL3841112 0.92 PPARG (0.39) PPARGPPARATP53SMPD1KDM4E
SCHEMBL3841330 0.91 PPARG (0.38) PPARGPPARAMAOAMAOBTP53
SCHEMBL3843493 0.89 PPARG (0.37) PPARGPPARATP53S1PR2S1PR4
SCHEMBL3842931 0.88 PPARA (0.43) PPARGPPARATP53PPARDTLR7
SCHEMBL3845506 0.88 S1PR1 (0.37) PPARGPPARAMAOAMAOBSMPD1
SCHEMBL3849869 0.86 PPARG (0.38) PPARGPPARATP53KDM4ES1PR2
SCHEMBL3851231 0.85 S1PR1 (0.35) PPARGPPARAMAOAMAOBSMPD1
SCHEMBL3292854 0.85 PPARA (0.42) PPARGPPARAMAOAMAOBTP53

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