SCHEMBL12177128

SCHEMBL12177128

O=C(O)c1ccc(-c2csc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.61
▸ ACP1 P24666 12/20 0.61
▸ PTPN2 P17706 7/20 0.59
▸ PTPRF P10586 2/20 0.59
▸ PTPRB P23467 2/20 0.59
▸ NLRP3 Q96P20 2/20 0.57
▸ PPARG P37231 1/20 0.55
▸ ENPP2 Q13822 3/20 0.55

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
SCHEMBL12177155 0.90 PPARG (0.63) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177349 0.88 PPARG (0.64) PTPN1ACP1PPARGENPP2
SCHEMBL12177690 0.87 PPARG (0.59) PTPN1ACP1PPARGENPP2
SCHEMBL12177366 0.84 ENPP2 (0.54) PTPN1PPARGENPP2
SCHEMBL12177336 0.84 PTPN1 (0.74) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177132 0.83 ALDH1A1 (0.50) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177374 0.83 PTPN1 (0.61) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177127 0.81 PTPN1 (0.45) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177303 0.80 ENPP2 (0.55) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL684272 0.79 ENPP2 (0.83) PTPN1ACP1PTPN2PTPRFPTPRB

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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