SCHEMBL9208968

SCHEMBL9208968

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
S1PR1 P21453 15/20 0.39
S1PR3 Q99500 9/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.35

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
SCHEMBL9314690 0.94 PPARG (0.38) PPARGPPARAS1PR1S1PR3MAOB
SCHEMBL9218845 0.93 PPARG (0.43) PPARGPPARAS1PR1S1PR3MEN1
SCHEMBL9212152 0.88 PPARG (0.34) PPARGPPARAS1PR1S1PR3MEN1
SCHEMBL26714174 0.85 PPARG (0.44) PPARGPPARAS1PR1S1PR3MEN1
SCHEMBL9219323 0.81 PPARG (0.36) PPARGPPARAS1PR1S1PR3MEN1
SCHEMBL23972131 0.80 HIF1A (0.46) PPARGPPARAMEN1KMT2A
SCHEMBL676794 0.80 HIF1A (0.46) PPARGPPARAMEN1KMT2A
SCHEMBL19342159 0.80 HIF1A (0.46) PPARGPPARAMEN1KMT2A
SCHEMBL6032705 0.80 HIF1A (0.46) PPARGPPARAMEN1KMT2A
SCHEMBL10014844 0.80 HIF1A (0.46) PPARGPPARAMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP claimed
JP-4001191-A None JP disclosed
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP disclosed
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
JP-H041191-A BENZO(B)THIOPHENE DERIVATIVE AND BACTERICIDE COMPOSITION DR R MAAG AG 1992-01-06 JP disclosed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP disclosed