SCHEMBL3843626

SCHEMBL3843626

CCCCCCCN(CCCCOc1cccc(SC(C)(CCC)C(=O)O)c1)c1nn(C)c(=O)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 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
GGPS1 O95749 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
SCHEMBL3846160 0.98 THRA (0.35) THRATHRBPLA2G4BCYSLTR2CYSLTR1
SCHEMBL3841106 0.91 THRA (0.38) THRATHRBPLA2G4BCYSLTR2CYSLTR1
SCHEMBL3841339 0.89 THRA (0.36) THRATHRBPLA2G4B
SCHEMBL3846400 0.88 MAPK14 (0.37) THRATHRBPLA2G4B
SCHEMBL3284699 0.86 THRA (0.36) THRATHRBPLA2G4BCYSLTR2CYSLTR1
SCHEMBL3291240 0.85 PPARA (0.35) THRATHRBSMPD1
SCHEMBL3846159 0.83 GGPS1 (0.36) PLA2G4BCYSLTR2CYSLTR1SMPD1GGPS1
SCHEMBL3844912 0.81 PPARG (0.35) PLA2G4BCYSLTR2CYSLTR1SMPD1GGPS1
SCHEMBL3285973 0.74 MAPK14 (0.36) THRATHRB
SCHEMBL3844116 0.73 PLA2G4B (0.38) PLA2G4BCYSLTR2CYSLTR1SMPD1GGPS1

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