SCHEMBL7064453

SCHEMBL7064453

CCCCCN[C@@H](Cc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
CTSK P43235 5/20 0.52
CTSS P25774 4/20 0.52
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
PTPN1 P18031 5/20 0.51
PTPRA P18433 1/20 0.49
AKT1 P31749 1/20 0.48
ACE P12821 1/20 0.47
ATM Q13315 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
BIRC2 Q13490 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL10653891 0.89 CTSS (0.51) BCHECTSKCTSSCTSBCTSL
SCHEMBL10604850 0.87 CTSS (0.49) BCHECTSKCTSSCTSBCTSL
SCHEMBL10655014 0.86 CTSS (0.48) BCHECTSKCTSSCTSBCTSL
SCHEMBL11010959 0.83 CTSS (0.45) BCHECTSKCTSSCTSBCTSL
SCHEMBL7064457 0.82 CTSK (0.69) CTSKCTSSCTSBCTSLPTPN1
SCHEMBL8613335 0.82 CTSK (0.65) CTSKCTSS
SCHEMBL15021100 0.82 CTSS (0.58) CTSKCTSSCTSBCTSLAKT1
SCHEMBL13731820 0.82 CTSS (0.58) CTSKCTSSCTSBCTSLAKT1
SCHEMBL3174229 0.81 PTPN1 (0.68) CTSKCTSSCTSBCTSLPTPN1
SCHEMBL31628751 0.81 PTPN1 (0.68) CTSKCTSSCTSBCTSLPTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed