SCHEMBL9769488

SCHEMBL9769488

COC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OC)ccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.60
CASP3 P42574 1/20 0.58
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 4/20 0.55
CA12 O43570 2/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
XDH P47989 1/20 0.55
TTR P02766 1/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ATM Q13315 2/20 0.51
CA4 P22748 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTGS2 P35354 1/20 0.51
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL9769408 1.00 PTPRC (0.60) PTPRCCASP3CA1CA2CA9
SCHEMBL25260739 0.96 PTPRC (0.57) PTPRCCASP3CA1CA2CA9
SCHEMBL31065274 0.96 PTPRC (0.57) PTPRCCASP3CA1CA2CA9
SCHEMBL11846453 0.96 PTPRC (0.60) PTPRCCASP3CA1CA2CA9
SCHEMBL13550874 0.96 PTPRC (0.60) PTPRCCASP3CA1CA2CA9
SCHEMBL2265496 0.94 TTR (0.62) PTPRCCASP3TTRALDH1A1SMN1; SMN2
SCHEMBL4921071 0.93 TTR (0.61) PTPRCCASP3TTRALDH1A1SMN1; SMN2
SCHEMBL26120300 0.89 S100A4 (0.62) PTPRCCASP3TTRALDH1A1SMN1; SMN2
SCHEMBL28359870 0.89 TTR (0.61) PTPRCCASP3CA1CA2CA9
SCHEMBL26120557 0.88 TDP1 (0.53) PTPRCCASP3CA1CA2CA9

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
US-5023356-A Novel tetracyanoanthraquinodimethane derivatives and process for producing same FUJI XEROX CO., LTD. (JP) 1991-06-11 US disclosed
US-4990634-A Novel tetracyanoanthraquinodimethane derivatives and process for producing same FUJI XEROX CO., LTD. (JP) 1991-02-05 US disclosed