SCHEMBL12177484

SCHEMBL12177484

COc1cccc(-c2csc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ ENPP2 Q13822 3/20 0.52
▸ AKR1B1 P15121 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CISD1 Q9NZ45 1/20 0.49
▸ PTPN1 P18031 5/20 0.48
▸ ACP1 P24666 3/20 0.48
▸ PTPN2 P17706 1/20 0.47

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
SCHEMBL12177366 0.90 ENPP2 (0.54) PPARGALDH1A1ENPP2MEN1KMT2A
SCHEMBL12177155 0.87 PPARG (0.63) PPARGALDH1A1ENPP2AKR1B1PTPN1
SCHEMBL12177160 0.87 PPARG (0.70) PPARGENPP2AKR1B1CISD1PTPN1
SCHEMBL12177686 0.85 PPARG (0.56) PPARGALDH1A1ENPP2AKR1B1MEN1
SCHEMBL12177303 0.85 ENPP2 (0.55) ENPP2PTPN1ACP1PTPN2
SCHEMBL12177367 0.84 MAPK1 (0.49) PPARGALDH1A1ENPP2PTPN1ACP1
SCHEMBL12177690 0.82 PPARG (0.59) PPARGALDH1A1ENPP2MEN1KMT2A
SCHEMBL12177524 0.81 PIK3CG (0.57) PPARGALDH1A1ENPP2MEN1KMT2A
SCHEMBL12177349 0.81 PPARG (0.64) PPARGALDH1A1ENPP2AKR1B1PTPN1
SCHEMBL12177549 0.80 PPARG (0.64) PPARGENPP2AKR1B1CISD1PTPN1

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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