SCHEMBL8552942

SCHEMBL8552942

O=S(=O)(OCCOCCCCCCc1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA1 P00915 3/20 0.49
FAAH O00519 4/20 0.36
CES1 P23141 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FKBP1A P62942 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MGLL Q99685 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
SCHEMBL8555026 0.94 CA2 (0.44) CA2CA1
SCHEMBL27525477 0.91 CA2 (0.54) CA2CA1FAAHCES1FFAR1
SCHEMBL8551008 0.89 CA2 (0.48) CA2CA1FAAHCES1TDP1
SCHEMBL8811229 0.88 CA2 (0.48) CA2CA1FAAHCES1TDP1
SCHEMBL23291910 0.82 CA2 (0.69) CA2CA1FFAR1
SCHEMBL8300371 0.80 CA2 (0.41) CA2CA1FAAHCES1FFAR1
SCHEMBL8722410 0.80 TAAR1 (0.46) TDP1L3MBTL1
SCHEMBL11669981 0.80 TAAR1 (0.46) TDP1L3MBTL1
SCHEMBL8441263 0.79 CA2 (0.53) CA2CA1FAAHCES1FFAR1
SCHEMBL8077441 0.79 CA2 (0.53) CA2CA1FAAHCES1FFAR1

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
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed