SCHEMBL7356227

SCHEMBL7356227

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
USP30 Q70CQ3 12/20 0.45
PSMB5 P28074 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GSK3B P49841 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
SCHEMBL8309499 0.86 MEN1 (0.58) MEN1KMT2AUSP30PSMB5KDM4E
SCHEMBL7356543 0.85 PSMB5 (0.49) ALDH1A1HPGDPSMB5HDAC3HDAC1
SCHEMBL7356396 0.85 CAPN1 (0.53) MEN1KMT2AALDH1A1USP30
SCHEMBL7358769 0.84 MEN1 (0.56) MEN1KMT2AUSP30PSMB5HDAC3
SCHEMBL7359406 0.83 MMP1 (0.49)
SCHEMBL7354780 0.81 LMNA (0.49) KMT2AALDH1A1
SCHEMBL7363540 0.80 FCER2 (0.52) PSMB5
SCHEMBL7354811 0.80 TACR1 (0.50) MEN1KMT2A
SCHEMBL7361887 0.79 MMP9 (0.55) MEN1KMT2AALDH1A1PSMB5
SCHEMBL7353746 0.79 MMP9 (0.55) MEN1KMT2AALDH1A1PSMB5

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