SCHEMBL8006799

SCHEMBL8006799

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.64
CTSL P07711 12/20 0.64
CTSB P07858 9/20 0.50
CTSK P43235 7/20 0.50
TACR1 P25103 1/20 0.48

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
SCHEMBL15271340 0.93 CTSS (0.57) CTSSCTSLCTSBCTSKTACR1
SCHEMBL13201878 0.93 CTSS (0.57) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6467412 0.86 CTSL (0.52) CTSSCTSLCTSBCTSKTACR1
SCHEMBL7734079 0.86 CTSL (0.52) CTSSCTSLCTSBCTSKTACR1
SCHEMBL19519898 0.85 CTSL (0.59) CTSSCTSLCTSBCTSK
SCHEMBL16357709 0.84 CTSS (0.67) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6552558 0.84 TACR1 (0.60) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6348416 0.84 TACR1 (0.60) CTSSCTSLCTSBCTSKTACR1
SCHEMBL9633248 0.84 TACR1 (0.60) CTSSCTSLCTSBCTSKTACR1
SCHEMBL9633851 0.84 TACR1 (0.60) CTSSCTSLCTSBCTSKTACR1

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
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed