SCHEMBL9560733

SCHEMBL9560733

COC(=O)c1ccc2c(c1)C(=O)C=CC2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.66
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA14 Q9ULX7 2/20 0.52
XDH P47989 1/20 0.52
CASP3 P42574 1/20 0.51
SETD7 Q8WTS6 1/20 0.50
ALDH1A1 P00352 5/20 0.49
ATM Q13315 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 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
SCHEMBL27352636 0.86 PTPRC (0.67) PTPRCCA1CA2CA9CA12
SCHEMBL68289 0.82 CA1 (0.61) PTPRCCA1CA2CA9CA12
SCHEMBL69304 0.82 CA1 (0.61) PTPRCCA1CA2CA9CA12
SCHEMBL9769488 0.81 PTPRC (0.60) PTPRCCA1CA2CA9CA12
SCHEMBL11846453 0.81 PTPRC (0.60) PTPRCCA1CA2CA9CA12
SCHEMBL9769408 0.81 PTPRC (0.60) PTPRCCA1CA2CA9CA12
SCHEMBL13550874 0.81 PTPRC (0.60) PTPRCCA1CA2CA9CA12
SCHEMBL6231632 0.80 PTPRC (1.00) PTPRCCA1CA2CA9CA12
SCHEMBL29223895 0.79 S100A4 (0.56) PTPRCALDH1A1MAPTHPGDPDK2
SCHEMBL15855076 0.78 PTPRC (0.54) PTPRCCA1CA2CA9CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552223-A1 USE OF BENZENE DERIVATIVES AS CHARGE TRANSFER MEDIATORS. NOVO NORDISK AS (DK) 1993-07-28 EP disclosed
WO-1992007263-A1 USE OF BENZENE DERIVATIVES AS CHARGE TRANSFER MEDIATORS NOVO NORDISK A/S (DK) 1992-04-30 WO disclosed