SCHEMBL8077441

SCHEMBL8077441

O=S(=O)(OCCCCCc1ccccc1)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
FAAH O00519 3/20 0.49
CES1 P23141 3/20 0.49
CA9 Q16790 1/20 0.46
MGLL Q99685 2/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FFAR1 O14842 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
IDO1 P14902 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 1.00 CA2 (0.53) CA2CA1FAAHCES1CA9
SCHEMBL8007555 0.98 CA2 (0.54) CA2CA1FAAHCES1CA9
SCHEMBL4625553 0.93 CA2 (0.55) CA2CA1FAAHCES1CA9
SCHEMBL8551008 0.91 CA2 (0.48) CA2CA1FAAHCES1CA9
SCHEMBL27525477 0.87 CA2 (0.54) CA2CA1FAAHCES1MGLL
SCHEMBL6586107 0.86 CA2 (0.68) CA2CA1FAAHCES1CA9
SCHEMBL27525475 0.86 CA2 (0.52) CA2CA1
SCHEMBL8552342 0.84 FAAH (0.46) CA2CA1FAAHCES1CA9
SCHEMBL17168317 0.84 CA2 (0.54) CA2CA1CA9FFAR1
SCHEMBL3767944 0.82 CA1 (0.59) CA2CA1FAAHCES1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835240-B1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-11-02 EP disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
EP-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed