SCHEMBL7387248

SCHEMBL7387248

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 1/20 0.57
MMP1 P03956 2/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
PSMB5 P28074 2/20 0.44
RAB9A P51151 1/20 0.44
HLA-DRB1 P01911 1/20 0.43
EPHX2 P34913 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
SCHEMBL7387251 1.00 L3MBTL1 (0.64) L3MBTL1ALDH1A1MMP1KDM4ETP53
SCHEMBL7362252 0.87 MMP3 (0.50) L3MBTL1MMP1PSMB5
SCHEMBL7358288 0.86 ALDH1A1 (0.63) L3MBTL1ALDH1A1MMP1KDM4ETDP1
SCHEMBL7358298 0.84 ALDH1A1 (0.61) L3MBTL1ALDH1A1MMP1KDM4ETDP1
SCHEMBL7361795 0.83 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EPSMB5
SCHEMBL7354780 0.83 LMNA (0.49) L3MBTL1ALDH1A1TDP1RAB9A
SCHEMBL7359406 0.83 MMP1 (0.49) L3MBTL1MMP1EPHX2
SCHEMBL7356396 0.83 CAPN1 (0.53) ALDH1A1MMP1TP53MAPT
SCHEMBL7354191 0.82 FPR2 (0.54) L3MBTL1ALDH1A1MMP1
SCHEMBL7361887 0.81 MMP9 (0.55) L3MBTL1ALDH1A1MAPTPSMB5

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