SCHEMBL9314690

SCHEMBL9314690

COC=C(C(=O)OC)c1csc2ccc(CON=C(C)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAOB P27338 2/20 0.38
S1PR1 P21453 10/20 0.36
S1PR3 Q99500 6/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
NR4A2 P43354 1/20 0.35
GCGR P47871 1/20 0.34
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 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
SCHEMBL9208968 0.94 PPARG (0.41) PPARGPPARAMAOBS1PR1S1PR3
SCHEMBL9218845 0.87 PPARG (0.43) PPARGPPARAMAOBS1PR1S1PR3
SCHEMBL9212152 0.83 PPARG (0.34) PPARGPPARAS1PR1S1PR3
SCHEMBL26714174 0.79 PPARG (0.44) PPARGPPARAMAOBS1PR1S1PR3
SCHEMBL9209788 0.76 NPC1 (0.47) S1PR1S1PR3
SCHEMBL9219323 0.76 PPARG (0.36) PPARGPPARAMAOBS1PR1S1PR3
SCHEMBL9212889 0.76 FFAR1 (0.36) PPARGPPARAS1PR1
SCHEMBL23972131 0.75 HIF1A (0.46) PPARGPPARAHIF1ARXFP1
SCHEMBL19342159 0.75 HIF1A (0.46) PPARGPPARAHIF1ARXFP1
SCHEMBL6032705 0.75 HIF1A (0.46) PPARGPPARAHIF1ARXFP1

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
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US claimed