SCHEMBL9212152

SCHEMBL9212152

COC=C(C(=O)OC)c1csc2ccc(CON=C(c3cccc(C(F)(F)F)c3)C3CC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CCR2 P41597 8/20 0.33
EGFR P00533 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL9219323 0.93 PPARG (0.36) PPARGPPARDPPARAALDH1A1GAA
SCHEMBL9215417 0.89 MEN1 (0.36) S1PR1S1PR3KMT2AMEN1
SCHEMBL9208968 0.88 PPARG (0.41) PPARGPPARAS1PR1S1PR3KMT2A
SCHEMBL9215312 0.84 MAPT (0.34) KMT2AMEN1MAPT
SCHEMBL9314690 0.83 PPARG (0.38) PPARGPPARAS1PR1S1PR3
SCHEMBL9275150 0.82 MEN1 (0.37) KMT2AMEN1
SCHEMBL9219849 0.82 MTNR1A (0.35) MAPT
SCHEMBL9218845 0.81 PPARG (0.43) PPARGPPARDPPARAALDH1A1S1PR1
SCHEMBL9211525 0.77 NPC1 (0.36) KMT2AMEN1MAPT
SCHEMBL9212889 0.76 FFAR1 (0.36) PPARGPPARAALDH1A1S1PR1KMT2A

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 5 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
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
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP disclosed