SCHEMBL7520841

SCHEMBL7520841

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCO)C(=O)O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.66
TACR1 P25103 2/20 0.60
CTSB P07858 4/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
ACE P12821 1/20 0.56

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
SCHEMBL6841663 0.91 FOLH1 (0.58) CTSLTACR1CTSSCTSK
SCHEMBL7515531 0.91 FOLH1 (0.58) CTSLTACR1CTSSCTSK
SCHEMBL11071178 0.89 MME (0.67) CTSLTACR1CTSBCTSSCTSK
SCHEMBL16095807 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL30241933 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL30688477 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL8100557 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL10049956 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL12052836 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL10722852 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed
US-5496834-A PEPTIDE DERIVATIVES AS CATHEPSIN L INHIBITORS AND INHIBITORS OF BONE RESORPTION OR TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US disclosed
EP-0641800-A1 Lactol derivatives as inhibiters of cathepsin L Takeda Chemical Industries, Ltd. (JP) 1995-03-08 EP disclosed