SCHEMBL7362252

SCHEMBL7362252

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.46
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
MMP1 P03956 3/20 0.44
FCER2 P06734 3/20 0.44
MEN1 O00255 1/20 0.43
PSMB5 P28074 1/20 0.43
KLKB1 P03952 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL7387248 0.87 L3MBTL1 (0.64) L3MBTL1MMP1PSMB5
SCHEMBL7387251 0.87 L3MBTL1 (0.64) L3MBTL1MMP1PSMB5
SCHEMBL7358304 0.86 MMP3 (0.55) MMP3BCHEKMT2AATMMMP1
SCHEMBL7359278 0.85 CYP1A2 (0.53) L3MBTL1PSMB5
SCHEMBL7359406 0.85 MMP1 (0.49) L3MBTL1ATMMMP1FCER2KLKB1
SCHEMBL7358297 0.84 MMP3 (0.53) MMP3BCHEKMT2AATMMMP1
SCHEMBL7361188 0.83 BACE1 (0.45) L3MBTL1PSMB5
SCHEMBL7363926 0.83 L3MBTL1 (0.47) L3MBTL1KMT2APSMB5
SCHEMBL7354485 0.82 CTSS (0.43) L3MBTL1ATM
SCHEMBL7361795 0.82 L3MBTL1 (0.51) L3MBTL1KMT2AATMMEN1PSMB5

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