SCHEMBL11595296

SCHEMBL11595296

COCOc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
ATM Q13315 3/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
S1PR3 Q99500 1/20 0.43
GPR88 Q9GZN0 1/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
HDAC8 Q9BY41 1/20 0.39
PTPN1 P18031 3/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BCL2 P10415 1/20 0.37

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
SCHEMBL11596126 0.91 CTSS (0.49) CTSSCTSKATMITGB3ITGA2B
SCHEMBL844326 0.89 CTSS (0.50) CTSSCTSKATMITGB3ITGA2B
SCHEMBL11644546 0.89 CTSS (0.47) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL844327 0.89 CTSS (0.50) CTSSCTSKATMITGB3ITGA2B
SCHEMBL11591555 0.89 CTSS (0.47) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3811492 0.88 ITGB3 (0.51) CTSSCTSKATMITGB3ITGA2B
SCHEMBL3814568 0.88 ITGB3 (0.51) CTSSCTSKATMITGB3ITGA2B
SCHEMBL3377050 0.87 CTSS (0.53) CTSSCTSKATMITGB3ITGA2B
SCHEMBL3377047 0.87 CTSS (0.53) CTSSCTSKATMITGB3ITGA2B
SCHEMBL4684444 0.86 CTSS (0.50) CTSSCTSKATMITGB3ITGA2B

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
US-4094978-A 3-PROPENYL DERIVATIVES OF CEPHALOSPORIN, COMPOSITIONS AND THEIR USE SYNTEX (U.S.A.) INC. (US) 1978-06-13 US disclosed