SCHEMBL7361887

SCHEMBL7361887

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.55
MMP8 P22894 6/20 0.55
MMP14 P50281 2/20 0.55
GPR139 Q6DWJ6 1/20 0.49
PSMB5 P28074 3/20 0.46
PSMB1 P20618 2/20 0.46
PSMB2 P49721 2/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MMP2 P08253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7353746 1.00 MMP9 (0.55) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL7354485 0.87 CTSS (0.43) L3MBTL1CTSL
SCHEMBL8305171 0.86 MMP9 (0.60) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL8309285 0.86 MMP9 (0.60) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL7360937 0.86 MMP9 (0.60) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL7354780 0.86 LMNA (0.49) MMP8KMT2AL3MBTL1ALDH1A1
SCHEMBL7361188 0.85 BACE1 (0.45) MMP8PSMB5L3MBTL1CTSL
SCHEMBL7360491 0.85 TACR1 (0.48) MAPTL3MBTL1CTSLPOLB
SCHEMBL7359406 0.85 MMP1 (0.49) MMP8L3MBTL1
SCHEMBL7356396 0.85 CAPN1 (0.53) MAPTMEN1KMT2AALDH1A1

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