SCHEMBL3849934

SCHEMBL3849934

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMPD1 P17405 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
PLA2G4B P0C869 1/20 0.34
RARB P10826 3/20 0.33
HTT P42858 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G4A P47712 1/20 0.33
MGAT2 Q10469 1/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL3841459 0.95 PKM (0.34) PPARGPPARATSHRHTTMAPK1
SCHEMBL3841060 0.94 PPARG (0.39) PPARGPPARASMPD1TP53TSHR
SCHEMBL3844532 0.92 PPARA (0.45) PPARGPPARASMPD1
SCHEMBL3851244 0.91 PPARA (0.43) PPARGPPARAS1PR1S1PR3
SCHEMBL3849202 0.90 EPHX2 (0.34) TP53TSHRMAPK1PLA2G4AALDH1A1
SCHEMBL3841422 0.90 PKM (0.34) PPARGPPARATSHRHTTMAPK1
SCHEMBL3842276 0.89 TP53 (0.39) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL3840691 0.88 SMPD1 (0.39) PPARGPPARASMPD1TP53TSHR
SCHEMBL3846393 0.87 TP53 (0.39) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL3286019 0.87 PPARA (0.38) PPARGPPARASMPD1TSHRMAPK1

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