SCHEMBL9212889

SCHEMBL9212889

CCCC(=NOCc1ccc2scc(C(=COC)C(=O)OC)c2c1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PPARA Q07869 7/20 0.35
PPARG P37231 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
S1PR1 P21453 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
SCHEMBL9213079 0.93 FFAR1 (0.37) FFAR1KDM4EPPARAPPARGSMN1; SMN2
SCHEMBL9215417 0.84 MEN1 (0.36) FFAR1KMT2AS1PR1
SCHEMBL9215653 0.80 FFAR1 (0.47) FFAR1SMN1; SMN2KMT2A
SCHEMBL9219849 0.80 MTNR1A (0.35) MAPT
SCHEMBL9209788 0.80 NPC1 (0.47) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL9208968 0.79 PPARG (0.41) PPARAPPARGKMT2AS1PR1
SCHEMBL9211087 0.78 NPC1 (0.35) FFAR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9275150 0.77 MEN1 (0.37) FFAR1KMT2A
SCHEMBL9215312 0.76 MAPT (0.34) KMT2AMAPT
SCHEMBL9212152 0.76 PPARG (0.34) KDM4EPPARAPPARGKMT2AALDH1A1

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