SCHEMBL8107796

SCHEMBL8107796

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.67
CTSK P43235 7/20 0.67
CTSB P07858 3/20 0.67
CTSL P07711 2/20 0.67
AKT1 P31749 1/20 0.64
PTPN1 P18031 4/20 0.62
PTPRA P18433 1/20 0.56
ACE P12821 1/20 0.55

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
SCHEMBL16909161 1.00 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8107395 1.00 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16909159 1.00 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16909172 0.95 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16909174 0.95 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2404125 0.94 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2447627 0.94 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2406384 0.94 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.94 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2405030 0.94 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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-6084112-A Method for preparing ω-aminoalkanoic acid derivatives from cycloalkanones EMISPHERE TECHNOLOGIES, INC. (US) 2000-07-04 US disclosed