SCHEMBL12177553

SCHEMBL12177553

C=CCN1C(=O)S/C(=C\c2cccc(-c3ccc(Cl)cc3)c2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CA9 Q16790 1/20 0.48
▸ AKR1B1 P15121 2/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ ACP1 P24666 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43

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
SCHEMBL12177581 0.91 ALDH1A1 (0.58) PPARGALDH1A1GAASMN1; SMN2AKR1B1
SCHEMBL12177456 0.88 TDP1 (0.65) PPARGALDH1A1GAASMN1; SMN2TDP1
SCHEMBL12177286 0.84 PPARG (0.76) PPARGALDH1A1CA9AKR1B1PTPN1
SCHEMBL12177363 0.82 CISD1 (0.63) PPARGALDH1A1GAASMN1; SMN2AKR1B1
SCHEMBL12177578 0.81 ALDH1A1 (0.53) PPARGALDH1A1GAASMN1; SMN2TDP1
SCHEMBL12177341 0.79 AKR1B1 (0.58) PPARGALDH1A1GAASMN1; SMN2AKR1B1
SCHEMBL12177136 0.79 CISD1 (0.56) PPARGALDH1A1GAASMN1; SMN2CA9
SCHEMBL12177376 0.79 ALDH1A1 (0.50) PPARGALDH1A1GAASMN1; SMN2TDP1
SCHEMBL12177324 0.79 PPARG (0.62) PPARGALDH1A1TDP1L3MBTL1AKR1B1
SCHEMBL12177475 0.77 PPARG (0.73) PPARGALDH1A1AKR1B1MAPK1PTPN1

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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