SCHEMBL3846159

SCHEMBL3846159

CCCCCCCn1nc(OCCCCOc2cccc(SC(C)(CCC)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.36
PLA2G4B P0C869 4/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
SMPD1 P17405 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PTPN11 Q06124 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
SCHEMBL3844912 0.98 PPARG (0.35) GGPS1PLA2G4BCYSLTR2CYSLTR1SMPD1
SCHEMBL3844116 0.91 PLA2G4B (0.38) GGPS1PLA2G4BCYSLTR2CYSLTR1SMPD1
SCHEMBL3842108 0.89 PPARA (0.38) SMPD1PPARGPPARAKMT2AALDH1A1
SCHEMBL3844604 0.89 KMT2A (0.36) PLA2G4BCYSLTR2CYSLTR1SMPD1PPARG
SCHEMBL3841033 0.88 SMPD1 (0.38) PLA2G4BSMPD1KMT2AMEN1MAPT
SCHEMBL3287365 0.85 PPARA (0.36) GGPS1PLA2G4BCYSLTR2CYSLTR1SMPD1
SCHEMBL3846291 0.85 PLA2G4B (0.40) GGPS1PLA2G4BSMPD1PPARGPPARA
SCHEMBL3845248 0.84 PLA2G4B (0.40) GGPS1PLA2G4BSMPD1PPARGPPARA
SCHEMBL3286825 0.84 PPARA (0.36) GGPS1SMPD1PPARGPPARAKMT2A
SCHEMBL3843626 0.83 THRA (0.36) GGPS1PLA2G4BCYSLTR2CYSLTR1SMPD1

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