SCHEMBL8104485

SCHEMBL8104485

O=C(N[C@@H](CS)C(=O)NCCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.61
CA2 P00918 2/20 0.59
CA1 P00915 2/20 0.58
CTSK P43235 4/20 0.57
CTRB1 P17538 2/20 0.56
NMBR P28336 1/20 0.56
CTSS P25774 5/20 0.56
CTSL P07711 4/20 0.56
CTSB P07858 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53

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
SCHEMBL7349223 0.93 CAPN1 (0.56) CA5ACA2CTSKCTRB1NMBR
SCHEMBL13073498 0.88 CTSL (0.71) CA5ACA2CTSKNMBRCTSS
SCHEMBL7764124 0.88 CTSL (0.71) CA5ACA2CTSKNMBRCTSS
SCHEMBL7348355 0.87 FNTA (0.61) CA5ACA2CA1CTSKCTRB1
SCHEMBL11709662 0.86 CA5A (0.60) CA5ACA2CA1CTSKNMBR
SCHEMBL29941583 0.86 CTRB1 (0.58) CTSKCTRB1CTSSCTSLCTSB
SCHEMBL7351353 0.84 CTRB1 (0.62) CTSKCTRB1CTSSCTSLCTSB
SCHEMBL2416694 0.82 CTRB1 (0.67) CTSKCTRB1CTSSCTSLCTSB
SCHEMBL9544107 0.82 CTRB1 (0.67) CTSKCTRB1CTSSCTSLCTSB
SCHEMBL6568131 0.82 CTRB1 (0.67) CTSKCTRB1CTSSCTSLCTSB

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-2000056283-A1 INHIBITION OF MATRIX METALLOPROTEINASES WITH POLYMERS AND PHARMACEUTICAL APPLICATIONS THEREOF THE B.F.GOODRICH COMPANY (US) 2000-09-28 WO disclosed