SCHEMBL9532377

SCHEMBL9532377

CCCC(=S)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.37
ACP1 P24666 2/20 0.37
CDC25B P30305 2/20 0.37
BACE1 P56817 1/20 0.36
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28927137 0.73 LMNA (0.54) PTPN1ACP1CDC25BBACE1GLA
SCHEMBL31603 0.72 BACE1 (0.44) PTPN1ACP1CDC25BBACE1GLA
SCHEMBL7243740 0.71 PTPN1 (0.49) PTPN1ACP1CDC25BBACE1HSD17B10
SCHEMBL3789174 0.70 PTPN1 (0.51) PTPN1ACP1CDC25BHSD17B10
SCHEMBL3782935 0.70 PTPN1 (0.51) PTPN1ACP1CDC25BHSD17B10
SCHEMBL20826897 0.68 KDM4E (0.50) PTPN1ACP1CDC25BBACE1GLA
SCHEMBL4459751 0.67 BACE1 (0.46) PTPN1ACP1CDC25BBACE1GLA
SCHEMBL1012423 0.67 BACE1 (0.46) PTPN1BACE1GLANPSR1
SCHEMBL29663487 0.67 BACE1 (0.40) PTPN1ACP1CDC25BBACE1GLA
SCHEMBL21999082 0.66 GLA (0.43) PTPN1ACP1CDC25BBACE1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP claimed
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed