SCHEMBL8300371

SCHEMBL8300371

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MGLL Q99685 4/20 0.36
FAAH O00519 3/20 0.35
CES1 P23141 3/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL8552342 0.88 FAAH (0.46) CA2CA1FFAR1MGLLFAAH
SCHEMBL8301348 0.87 CA1 (0.40) CA2CA1MGLL
SCHEMBL27525477 0.85 CA2 (0.54) CA2CA1FFAR1FFAR4MGLL
SCHEMBL8552942 0.80 CA2 (0.49) CA2CA1FFAR1FFAR4MGLL
SCHEMBL8555026 0.75 CA2 (0.44) CA2CA1LMNA
SCHEMBL23291910 0.74 CA2 (0.69) CA2CA1FFAR1
SCHEMBL8441263 0.72 CA2 (0.53) CA2CA1FFAR1MGLLFAAH
SCHEMBL8077441 0.72 CA2 (0.53) CA2CA1FFAR1MGLLFAAH
SCHEMBL27525475 0.72 CA2 (0.52) CA2CA1
SCHEMBL11669981 0.71 TAAR1 (0.46) LMNA

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