SCHEMBL3846291

SCHEMBL3846291

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
GGPS1 O95749 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
HPGD P15428 1/20 0.38
SMPD1 P17405 4/20 0.37
PTPN11 Q06124 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
SCHEMBL3845248 0.99 PLA2G4B (0.40) PLA2G4BNPC1ALDH1A1KMT2AGGPS1
SCHEMBL3844865 0.92 PPARA (0.48) PLA2G4BNPC1ALDH1A1KMT2AGGPS1
SCHEMBL3839949 0.92 PPARA (0.46) PLA2G4BNPC1ALDH1A1KMT2AGGPS1
SCHEMBL3841481 0.92 PPARA (0.51) NPC1ALDH1A1KMT2AGGPS1PPARG
SCHEMBL3849240 0.91 PPARA (0.48) PLA2G4BNPC1ALDH1A1KMT2APPARG
SCHEMBL3841370 0.89 PPARA (0.48) PLA2G4BNPC1ALDH1A1KMT2APPARG
SCHEMBL3842859 0.86 PPARA (0.42) PPARGPPARA
SCHEMBL3847191 0.86 PPARG (0.42) PPARGPPARASMPD1
SCHEMBL3842005 0.86 PPARG (0.42) PPARGPPARA
SCHEMBL3289722 0.85 PPARA (0.51) PLA2G4BNPC1ALDH1A1KMT2AGGPS1

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