SCHEMBL7360073

SCHEMBL7360073

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.47
MMP1 P03956 1/20 0.47
EPHX2 P34913 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KLK1 P06870 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
PPARG P37231 1/20 0.44
PTPN1 P18031 2/20 0.44
PTPN2 P17706 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
SCHEMBL7359406 0.94 MMP1 (0.49) KLKB1MMP1EPHX2ATML3MBTL1
SCHEMBL7361056 0.91 BRS3 (0.47) L3MBTL1
SCHEMBL7354739 0.89 EPHX2 (0.47) KLKB1MMP1EPHX2ATML3MBTL1
SCHEMBL7363540 0.87 FCER2 (0.52) KLKB1MMP1KLK1
SCHEMBL7355264 0.86 MMP1 (0.47) KLKB1MMP1ITGB1ITGA4PTPN1
SCHEMBL8309254 0.85 PSMB1 (0.49)
SCHEMBL7356543 0.84 PSMB5 (0.49) KLKB1MMP1
SCHEMBL7355276 0.84 BRS3 (0.47) KLKB1MMP1ITGB1ITGA4PTPN1
SCHEMBL7361188 0.84 BACE1 (0.45) L3MBTL1
SCHEMBL7363926 0.84 L3MBTL1 (0.47) L3MBTL1

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