SCHEMBL7357403

SCHEMBL7357403

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C1CNCCO1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
ACE P12821 2/20 0.49
KMT2A Q03164 2/20 0.47
EPHX2 P34913 1/20 0.46
AKT1 P31749 1/20 0.46
ATM Q13315 1/20 0.45
MAPK1 P28482 1/20 0.44
KLK5 Q9Y337 1/20 0.44
CCKAR P32238 1/20 0.44
CCKBR P32239 1/20 0.44
SCN9A Q15858 1/20 0.44
SSTR4 P31391 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
SCHEMBL8307743 0.81 CTSK (0.44) CTSSCTSKCTSBCTSLKMT2A
SCHEMBL28695449 0.79 ITGB3 (0.48) CTSSCTSKACEMAPK1
SCHEMBL9383807 0.77 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL9383811 0.77 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL5780237 0.76 ATM (0.50) CTSSCTSKCTSBCTSLACE
SCHEMBL27533342 0.76 ATM (0.50) CTSSCTSKCTSBCTSLACE
SCHEMBL3289149 0.76 ATM (0.50) CTSSCTSKCTSBCTSLACE
SCHEMBL19704231 0.76 ACE (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL7360271 0.76 CTSC (0.53) ACEKMT2ASSTR4
SCHEMBL7360264 0.76 CTSC (0.53) ACEKMT2ASSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed