SCHEMBL7649115

SCHEMBL7649115

N#CC(CCc1ccccc1)NC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.66
CTSS P25774 11/20 0.52
CNR2 P34972 1/20 0.49
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL6627501 0.84 CTSC (0.67) CTSCCTSSCTSLCTSB
SCHEMBL6061898 0.84 CTSC (0.67) CTSCCTSSCTSLCTSB
SCHEMBL6063121 0.84 CTSC (0.67) CTSCCTSSCTSLCTSB
SCHEMBL6063126 0.84 CTSC (0.67) CTSCCTSSCTSLCTSB
SCHEMBL6629343 0.83 CTSC (0.59) CTSCCTSS
SCHEMBL6630078 0.83 CTSC (0.66) CTSCCTSSCTSLCTSB
SCHEMBL6630308 0.83 CTSC (0.66) CTSCCTSSCTSLCTSB
SCHEMBL6062237 0.83 CTSC (0.66) CTSCCTSSCTSLCTSB
SCHEMBL6063853 0.83 CTSC (0.59) CTSCCTSS
SCHEMBL5906582 0.83 CTSC (0.71) CTSCCTSSCTSL

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-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US disclosed