SCHEMBL8104141

SCHEMBL8104141

CSC1[CH]C(=O)N1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APEX1 P27695 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.31
ACE P12821 1/20 0.30
ADORA2B P29275 1/20 0.30
KMT2A Q03164 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8104112 0.67 KMT2A (0.35) KDM4ENPSR1LMNAALDH1A1L3MBTL1
SCHEMBL8094793 0.67 L3MBTL1 (0.37) ALDH1A1POLBL3MBTL1SMN1; SMN2APEX1
SCHEMBL8102580 0.66 KMT2A (0.40) ALDH1A1KMT2A
SCHEMBL8441250 0.63 ACE (0.37) KDM4ENPSR1ALDH1A1ACE
SCHEMBL5547511 0.62 ACE (0.31) KDM4ELMNAACE
SCHEMBL18106803 0.62 L3MBTL1 (0.43) KDM4ENPSR1LMNAALDH1A1POLB
SCHEMBL8772453 0.60 ACE (0.37) KDM4ENPSR1ACE
SCHEMBL28923751 0.58 BRD4 (0.43) KDM4ENPSR1LMNAALDH1A1MAPT
SCHEMBL515800 0.57 PTGS1 (0.52) KDM4ENPSR1LMNAALDH1A1MAPT
SCHEMBL783054 0.57 CHRM2 (0.46) POLBTSHRACEKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed