SCHEMBL8551008

SCHEMBL8551008

O=S(=O)(OCCOCCCCCCc1ccccc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
FAAH O00519 3/20 0.48
CES1 P23141 3/20 0.48
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA9 Q16790 1/20 0.41
MGLL Q99685 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL8441263 0.91 CA2 (0.53) CA2CA1FAAHCES1CA9
SCHEMBL8077441 0.91 CA2 (0.53) CA2CA1FAAHCES1CA9
SCHEMBL8007555 0.89 CA2 (0.54) CA2CA1FAAHCES1CA9
SCHEMBL8552942 0.89 CA2 (0.49) CA2CA1FAAHCES1TDP1
SCHEMBL3890904 0.88 CA2 (0.56) CA2CA1FAAHCES1CA9
SCHEMBL8811229 0.87 CA2 (0.48) CA2CA1FAAHCES1TDP1
SCHEMBL4625553 0.84 CA2 (0.55) CA2CA1FAAHCES1CA9
SCHEMBL8555026 0.83 CA2 (0.44) CA2CA1
SCHEMBL6586107 0.81 CA2 (0.68) CA2CA1FAAHCES1TDP1
SCHEMBL10390178 0.80 TDP1 (0.47) CA2CA1TDP1L3MBTL1CA9

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