SCHEMBL7227136

SCHEMBL7227136

CC(C)COC(=O)N=C(NCC(C(=O)NC1(C#N)CCN(CCC(N)=O)CC1)C1CCCCC1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.43
CTSL P07711 2/20 0.41

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
SCHEMBL6407939 0.85 CTSS (0.57) CTSSCTSL
SCHEMBL6407944 0.85 CTSS (0.57) CTSSCTSL
SCHEMBL7227131 0.79 CTSS (0.42) CTSSCTSL
SCHEMBL7227125 0.79 CTSS (0.42) CTSSCTSL
SCHEMBL6345035 0.78 CTSS (0.62) CTSSCTSL
SCHEMBL6345039 0.78 CTSS (0.62) CTSSCTSL
SCHEMBL6836060 0.73 CTSS (0.55) CTSSCTSL
SCHEMBL6832873 0.73 CTSS (0.54) CTSSCTSL
SCHEMBL7680103 0.72 CTSS (0.45) CTSSCTSL
SCHEMBL6352368 0.71 CTSS (0.59) CTSSCTSL

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-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US claimed