SCHEMBL3842276

SCHEMBL3842276

CCCCCCCn1c(=O)c(NCCCOc2ccc(OC(C)(CCC)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 5/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RARB P10826 3/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
HTT P42858 2/20 0.37
PLA2G4A P47712 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PLA2G2A P14555 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
SCHEMBL3846393 0.98 TP53 (0.39) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL3841060 0.91 PPARG (0.39) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL3849202 0.91 EPHX2 (0.34) TP53TSHRPLA2G4AMAPK1ALDH1A1
SCHEMBL3841090 0.90 PPARG (0.47) PPARGPPARA
SCHEMBL3840362 0.90 PPARA (0.43) PPARGPPARAS1PR1S1PR3SMN1; SMN2
SCHEMBL3842665 0.89 PPARG (0.46) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL3849934 0.89 PPARG (0.38) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL3840691 0.87 SMPD1 (0.39) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL3842655 0.85 MAPK14 (0.38) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL3843700 0.85 SMPD1 (0.39) TP53TSHRPLA2G4BRARBS1PR1

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