SCHEMBL8301348

SCHEMBL8301348

O=S(=O)(OOCCCCCCc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PPARA Q07869 2/20 0.36
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL8300371 0.87 CA2 (0.41) CA1CA2MGLL
SCHEMBL8552342 0.87 FAAH (0.46) CA1CA2MGLL
SCHEMBL27525475 0.85 CA2 (0.52) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL8811229 0.81 CA2 (0.48) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL8555026 0.77 CA2 (0.44) CA1CA2KCNH2
SCHEMBL5496662 0.75 CA2 (0.67) CA1CA2PPARAPPARG
SCHEMBL27525477 0.72 CA2 (0.54) CA1CA2MGLL
SCHEMBL8441263 0.71 CA2 (0.53) CA1CA2MGLL
SCHEMBL8077441 0.71 CA2 (0.53) CA1CA2MGLL
SCHEMBL6905786 0.70 KCNH2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1222907-A Azetidinone derivatives for treatment of atheroscleroses SMITHKLINE BEECHAM PLC (GB) 1999-07-14 CN disclosed
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed