SCHEMBL12177136

SCHEMBL12177136

C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(OC)c3)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.56
▸ AKR1B1 P15121 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PPARG P37231 4/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CA9 Q16790 1/20 0.51
▸ PTPN1 P18031 1/20 0.51

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
SCHEMBL12177363 0.93 CISD1 (0.63) CISD1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL12177161 0.84 PPARG (0.64) CISD1AKR1B1ALDH1A1PPARGMAPK1
SCHEMBL12177160 0.84 PPARG (0.70) CISD1AKR1B1PPARGPTPN1
SCHEMBL12177762 0.83 CISD1 (0.49) CISD1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL12177452 0.82 PIK3CG (0.58) CISD1AKR1B1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL12177341 0.81 AKR1B1 (0.58) AKR1B1ALDH1A1GAASMN1; SMN2PPARG
SCHEMBL12177581 0.81 ALDH1A1 (0.58) AKR1B1ALDH1A1GAASMN1; SMN2PPARG
SCHEMBL12177156 0.81 ALDH1A1 (0.61) CISD1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL12177553 0.79 PPARG (0.54) CISD1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL12177456 0.78 TDP1 (0.65) AKR1B1ALDH1A1GAASMN1; SMN2PPARG

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
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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