SCHEMBL12177374

SCHEMBL12177374

O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 0.61
▸ ACP1 P24666 10/20 0.60
▸ PTPN2 P17706 5/20 0.59
▸ PTPRF P10586 2/20 0.59
▸ PTPRB P23467 2/20 0.59
▸ NLRP3 Q96P20 2/20 0.56
▸ PTPN22 Q9Y2R2 1/20 0.54
▸ ENPP2 Q13822 2/20 0.54
▸ DUSP22 Q9NRW4 1/20 0.53
▸ PPARG P37231 1/20 0.53

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
SCHEMBL12177737 0.91 ENPP2 (0.58) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177152 0.90 PPARG (0.60) PTPN1ACP1PTPN22ENPP2PPARG
SCHEMBL20339633 0.89 PTPN1 (0.71) PTPN1NLRP3PTPN22DUSP22
SCHEMBL20339632 0.89 PTPN1 (0.71) PTPN1NLRP3PTPN22DUSP22
SCHEMBL12177314 0.88 PTPN1 (0.58) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177720 0.88 PPARG (0.61) PTPN22ENPP2PPARG
SCHEMBL12177427 0.87 PPARG (0.67) PTPN22ENPP2PPARG
SCHEMBL12177447 0.83 PTPN22 (0.55) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177128 0.83 PTPN1 (0.61) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177336 0.82 PTPN1 (0.74) 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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