SCHEMBL27919626

SCHEMBL27919626

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.57
▸ CTSS P25774 6/20 0.54
▸ CTSL P07711 4/20 0.54
▸ CTSB P07858 3/20 0.54
▸ CASP1 P29466 3/20 0.53
▸ PSMB1 P20618 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL20827012 0.92 CTSK (0.57) CTSKCTSSCTSLCTSBCASP1
Water SCHEMBL44988 0.91 CTSK (0.56) CTSKCTSSCTSLCTSBCASP1
SCHEMBL45786 0.91 CASP1 (0.59) CTSKCTSSCTSLCTSBCASP1
Water SCHEMBL20819144 0.90 CASP1 (0.58) CTSKCTSSCTSLCTSBCASP1
SCHEMBL20827013 0.88 CASP1 (0.55) CTSKCTSSCTSLCTSBCASP1
SCHEMBL6675104 0.87 CTSK (0.54) CTSKCTSSCTSLCTSBCASP1
SCHEMBL7305326 0.87 KLK7 (0.60) CTSKCTSSCTSLCTSB
SCHEMBL8765627 0.86 CASP1 (0.60) CTSKCTSSCTSLCTSBCASP1
SCHEMBL9312398 0.86 CASP1 (0.60) CTSKCTSSCTSLCTSBCASP1
SCHEMBL18075229 0.86 CTSK (0.65) CTSKCTSSCTSLCTSB

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-103288815-A Beta-lactamyl vasopression V1a antagonists AZEVAN PHARMACEUTICALS INC 2013-09-11 — — CN disclosed
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