SCHEMBL7382941

SCHEMBL7382941

COC(=O)CCCCC(S)C(=O)N(C(=O)OCc1ccccc1)[C@@](Cc1ccccc1)(C(=O)O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CTSL P07711 4/20 0.43
CTSS P25774 3/20 0.43
CTSB P07858 2/20 0.43
REN P00797 3/20 0.43
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42
PSMB1 P20618 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL7384921 0.98 CTSK (0.45) CTSKCTSLCTSSCTSBREN
SCHEMBL7432731 0.94 CTSK (0.46) CTSKCTSLCTSSCTSBREN
SCHEMBL7383160 0.94 CTSK (0.42) CTSKCTSLCTSSCTSBREN
SCHEMBL7382553 0.92 CTSK (0.42) CTSKCTSLCTSSCTSBREN
SCHEMBL7385853 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBREN
SCHEMBL7425528 0.86 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL7377812 0.85 CTSK (0.44) CTSKCTSLCTSSCTSBREN
SCHEMBL7384528 0.85 CTSK (0.43) CTSKCTSLCTSSCTSB
SCHEMBL7382133 0.84 REN (0.47) CTSKCTSBREN
SCHEMBL7382221 0.82 CTSK (0.41) CTSKCTSLCTSSCTSBREN

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-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed