SCHEMBL12177336

SCHEMBL12177336

O=C(O)c1ccc(-c2cccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.74
▸ ACP1 P24666 12/20 0.74
▸ PTPN2 P17706 7/20 0.68
▸ ENPP2 Q13822 3/20 0.66
▸ PPARG P37231 1/20 0.66
▸ NLRP3 Q96P20 2/20 0.64
▸ PTPRF P10586 2/20 0.63
▸ PTPRB P23467 2/20 0.63
▸ PKM P14618 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL12177290 0.93 ENPP2 (0.74) PTPN1ACP1PTPN2ENPP2PPARG
SCHEMBL12177475 0.91 PPARG (0.73) PTPN1ACP1PTPN2ENPP2PPARG
SCHEMBL20340001 0.90 NLRP3 (0.81) PTPN1ACP1PTPN2NLRP3MAPK1
SCHEMBL20339998 0.90 NLRP3 (0.81) PTPN1ACP1PTPN2NLRP3MAPK1
SCHEMBL12177458 0.89 PTPN1 (0.71) PTPN1ACP1PTPN2ENPP2PTPRF
SCHEMBL12177286 0.88 PPARG (0.76) PTPN1ACP1PTPN2ENPP2PPARG
SCHEMBL12177742 0.87 PPARG (0.68) PTPN1ACP1PTPN2ENPP2PPARG
SCHEMBL12177549 0.84 PPARG (0.64) PTPN1ACP1PTPN2ENPP2PPARG
SCHEMBL12177128 0.84 PTPN1 (0.61) PTPN1ACP1PTPN2ENPP2PPARG
SCHEMBL12177758 0.83 PPARG (0.82) PTPN1ACP1PTPN2ENPP2PPARG

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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