Sugi Predict

Sugi Predict / Compounds / SCHEMBL9804986

SCHEMBL9804986

SCHEMBL9804986

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]([C]=O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.69
▸ CTSL P07711 7/20 0.68
▸ CTSS P25774 4/20 0.68
▸ CTSB P07858 4/20 0.68
▸ PSMB1 P20618 1/20 0.61
▸ PSMB5 P28074 1/20 0.61
▸ PSMB2 P49721 1/20 0.61

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
SCHEMBL6014223 0.87 CTSK (0.71) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL11209608 0.87 CTSK (0.71) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7300987 0.86 ATM (0.56) CTSKCTSLCTSSCTSB
SCHEMBL1152786 0.86 ATM (0.56) CTSKCTSLCTSSCTSB
SCHEMBL28216854 0.85 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7618462 0.85 CTSK (0.74) CTSKCTSLCTSSCTSB
Carbon Dioxide SCHEMBL2255001 0.85 CAPN1 (0.74) CTSKCTSLCTSSCTSB
Carbon Dioxide SCHEMBL2245710 0.85 CAPN1 (0.74) CTSKCTSLCTSSCTSB
SCHEMBL7181654 0.84 CTSS (0.57) CTSKCTSLCTSSCTSB
SCHEMBL7183454 0.84 CTSS (0.57) CTSKCTSLCTSSCTSB

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
EP-0418233-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB, Anders (SE) 1991-03-27 — — EP disclosed
WO-1988010266-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB ANDERS (SE) 1988-12-29 — — WO disclosed