SCHEMBL8271877

SCHEMBL8271877

CC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 4/20 0.51
▸ CPA2 P48052 4/20 0.51
▸ CPA4 Q9UI42 4/20 0.51
▸ CTSS P25774 2/20 0.46
▸ CTSK P43235 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45

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
SCHEMBL8270567 0.90 CA12 (0.49) CPA1CPA2CPA4CTSSCTSK
SCHEMBL8269345 0.84 PSMB5 (0.45) CPA1CPA2CPA4
SCHEMBL15413369 0.81 CTSS (0.46) CPA1CPA2CPA4CTSSCTSK
SCHEMBL2632703 0.81 CPA1 (0.61) CPA1CPA2CPA4MMEALDH1A1
SCHEMBL6931278 0.80 GNPAT (0.57) CPA1CPA2CPA4CTSSCTSK
SCHEMBL468905 0.80 GNPAT (0.57) CPA1CPA2CPA4CTSSCTSK
SCHEMBL468907 0.80 GNPAT (0.57) CPA1CPA2CPA4CTSSCTSK
SCHEMBL19387510 0.80 CTSS (0.51) CPA1CTSSCTSKGNPATMME
SCHEMBL23627513 0.80 CHRNB2 (0.48) CTSSCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL13557785 0.78 ACE (0.48) CPA1CTSSMMEMMP8CTSL

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
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 — — WO disclosed
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