SCHEMBL12177396

SCHEMBL12177396

COc1ccc(CN2C(=O)S/C(=C\c3cccc(-c4cccc(C(=O)O)c4)c3)C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.68
▸ PTPN1 P18031 14/20 0.66
▸ ACP1 P24666 12/20 0.66
▸ PTPN2 P17706 8/20 0.60
▸ PTPRF P10586 2/20 0.60
▸ PTPRB P23467 2/20 0.60
▸ PKM P14618 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ AKR1B1 P15121 1/20 0.57

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
SCHEMBL12177458 0.94 PTPN1 (0.71) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL12177416 0.90 PTPN1 (0.60) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL12177290 0.89 ENPP2 (0.74) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL12177353 0.89 PIM1 (0.59) ENPP2PTPN1ACP1PKMMAPK1
SCHEMBL12177303 0.89 ENPP2 (0.55) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL12177549 0.87 PPARG (0.64) ENPP2PTPN1ACP1PTPN2NPSR1
SCHEMBL12177740 0.86 ENPP2 (0.55) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL12177324 0.85 PPARG (0.62) ENPP2PTPN1ACP1MAPK1AKR1B1
SCHEMBL12177785 0.85 PIM1 (0.56) ENPP2PTPN1ACP1AKR1B1
SCHEMBL12177383 0.85 MEN1 (0.67) ENPP2PTPN1ACP1PKMNPSR1

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
Send feedback