SCHEMBL30968897

SCHEMBL30968897

CC(C)(C)OC(=O)NC(CO)C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.62
CTSK P43235 10/20 0.62
CTSB P07858 4/20 0.62
CTSL P07711 2/20 0.62
ATM Q13315 1/20 0.55
MMP8 P22894 1/20 0.55
AKT1 P31749 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53

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
SCHEMBL42634 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL13583903 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL9582823 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL992881 0.90 PSMB1 (0.58) CTSSCTSKCTSBCTSLPPARA
SCHEMBL18546605 0.90 CTSK (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL25884513 0.90 CTSK (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL18546494 0.90 CTSK (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL3383006 0.90 CTSS (0.77) CTSSCTSKCTSBCTSLATM
SCHEMBL8574604 0.88 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL1290504 0.88 CA12 (0.70) CTSSCTSKCTSBCTSLATM

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
CN-118271200-A Industrial preparation method and application of lacosamide 北京澳合药物研究院有限公司 2024-07-02 CN disclosed