SCHEMBL6893021

SCHEMBL6893021

CNC(Cc1ccccc1)C(=O)NCC(=O)[C](C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.51
▸ CTSK P43235 4/20 0.51
▸ CTSL P07711 5/20 0.46
▸ CTSB P07858 4/20 0.46
▸ ACE P12821 3/20 0.46
▸ MME P08473 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NPEPPS P55786 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL22695725 0.88 CTSS (0.54) CTSSCTSKCTSLCTSBACE
SCHEMBL16656682 0.88 CTSS (0.54) CTSSCTSKCTSLCTSBACE
SCHEMBL12126314 0.86 ACE (0.60) CTSSCTSKCTSLCTSBACE
SCHEMBL30881100 0.84 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL9388987 0.84 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL22199401 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBACE
SCHEMBL9388996 0.84 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL6927203 0.82 CTSS (0.48) CTSSCTSKCTSLCTSBACE
SCHEMBL22317109 0.81 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL16254357 0.81 CTSS (0.52) CTSSCTSKCTSLCTSBACE

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-6740639-B1 L-TYROSYL-D-ALANYL-GLYCYL-N-METHYLPHENYLALANYL-GLYCYL -ISOPROPYLAMIDE AND CYCLODEXTRIN DERIVATIVES; ANALGESIC, ANTIINFLAMMATORY, NONADDICTIVE PROPERTIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2004-05-25 — — US disclosed
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