SCHEMBL7363540

SCHEMBL7363540

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
CTSB P07858 3/20 0.51
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CTSK P43235 2/20 0.47
KLKB1 P03952 8/20 0.45
MMP1 P03956 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
KLK1 P06870 1/20 0.43
CTNNB1 P35222 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
SCHEMBL7359406 0.90 MMP1 (0.49) FCER2MMP8KLKB1MMP1KLK1
SCHEMBL7354813 0.87 CTNNB1 (0.45) MMP2MMP9MMP8CTSBCTSS
SCHEMBL7360073 0.87 KLKB1 (0.47) KLKB1MMP1KLK1
SCHEMBL7353158 0.86 FCER2 (0.57) FCER2MMP2MMP9MMP8CTSB
SCHEMBL7353133 0.86 FCER2 (0.57) FCER2MMP2MMP9MMP8CTSB
SCHEMBL7354739 0.85 EPHX2 (0.47) KLKB1MMP1KLK1
SCHEMBL7353146 0.85 FCER2 (0.56) FCER2MMP2MMP9MMP8CTSB
SCHEMBL7356543 0.84 PSMB5 (0.49) MMP8CTSSCTSKKLKB1MMP1
SCHEMBL8309254 0.81 PSMB1 (0.49) CTSLPSMB1PSMB5PSMB2
SCHEMBL7361188 0.81 BACE1 (0.45) MMP8CTSBCTSSCTSLCTSK

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