SCHEMBL29611575

SCHEMBL29611575

COCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA3 P07451 1/20 0.70
CA4 P22748 1/20 0.70
CA6 P23280 1/20 0.70
CA5A P35218 1/20 0.70
CA7 P43166 1/20 0.70
CACNA1C Q13936 1/20 0.70
SCN9A Q15858 1/20 0.70
CA9 Q16790 1/20 0.70
CA13 Q8N1Q1 1/20 0.70
CA14 Q9ULX7 1/20 0.70
CA5B Q9Y2D0 1/20 0.70
CTSS P25774 10/20 0.63
CTSK P43235 9/20 0.61
CTSB P07858 4/20 0.61
CTSL P07711 2/20 0.61
ATM Q13315 1/20 0.54
PPARA Q07869 2/20 0.54

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
SCHEMBL43571 1.00 CA12 (0.70) CA12CA1CA2CA3CA4
SCHEMBL28736812 1.00 CA12 (0.70) CA12CA1CA2CA3CA4
SCHEMBL1290504 1.00 CA12 (0.70) CA12CA1CA2CA3CA4
SCHEMBL993498 0.90 CTSS (0.59) CA12CA1CA2CA3CA4
SCHEMBL9582887 0.89 CTSS (0.63) CA12CA1CA2CA3CA4
SCHEMBL11985033 0.89 CTSS (0.79) CA12CA1CA2CA3CA4
SCHEMBL9582058 0.89 CTSS (0.65) CA12CA1CA2CA3CA4
SCHEMBL42634 0.88 CTSS (0.62) CA12CA1CA2CA3CA4
SCHEMBL30968897 0.88 CTSS (0.62) CA12CA1CA2CA3CA4
SCHEMBL3383006 0.88 CTSS (0.77) 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 2 patents. 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
CN-114527205-A Method for detecting isomer of 2-tert-butyloxycarbonylamino-N-benzyl-3-methoxypropionamide 石家庄四药有限公司 2022-05-24 CN disclosed