SCHEMBL3844912

SCHEMBL3844912

CCCCCCCn1nc(OCCCOc2cccc(SC(C)(CCC)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
GGPS1 O95749 1/20 0.35
SMPD1 P17405 3/20 0.34
PLA2G4B P0C869 2/20 0.34
HPGD P15428 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL3846159 0.98 GGPS1 (0.36) PPARGPPARAKMT2AALDH1A1NPC1
SCHEMBL3844604 0.91 KMT2A (0.36) PPARGPPARAKMT2AALDH1A1NPC1
SCHEMBL3842108 0.89 PPARA (0.38) PPARGPPARAKMT2AALDH1A1MEN1
SCHEMBL3844116 0.89 PLA2G4B (0.38) PPARGPPARAKMT2AALDH1A1NPC1
SCHEMBL3841033 0.88 SMPD1 (0.38) KMT2AMEN1MAPTHTTSMPD1
SCHEMBL3286825 0.85 PPARA (0.36) PPARGPPARAKMT2AALDH1A1NPC1
SCHEMBL3845248 0.84 PLA2G4B (0.40) PPARGPPARAKMT2AALDH1A1NPC1
SCHEMBL3287365 0.84 PPARA (0.36) PPARGPPARAKMT2AALDH1A1MEN1
SCHEMBL3846291 0.83 PLA2G4B (0.40) PPARGPPARAKMT2AALDH1A1NPC1
SCHEMBL3841370 0.83 PPARA (0.48) PPARGPPARAKMT2AALDH1A1NPC1

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