SCHEMBL8552342

SCHEMBL8552342

O=S(=O)(OOCCCCCCc1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
CES1 P23141 3/20 0.46
MGLL Q99685 2/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.40
CA9 Q16790 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.88 CA2 (0.41) FAAHCES1MGLLCA2CA1
SCHEMBL8301348 0.87 CA1 (0.40) MGLLCA2CA1
SCHEMBL8077441 0.84 CA2 (0.53) FAAHCES1MGLLMAPTRXFP1
SCHEMBL8441263 0.84 CA2 (0.53) FAAHCES1MGLLMAPTRXFP1
SCHEMBL8007555 0.82 CA2 (0.54) FAAHCES1MGLLCA2CA1
SCHEMBL8551008 0.79 CA2 (0.48) FAAHCES1MGLLMAPTRXFP1
SCHEMBL28006935 0.79 ALDH1A1 (0.47) MAPTRXFP1CA2CA1CA9
SCHEMBL11516805 0.77 SIGMAR1 (0.56) MAPTRXFP1
SCHEMBL4625553 0.77 CA2 (0.55) FAAHCES1CA2CA1CA9
SCHEMBL3767944 0.74 CA1 (0.59) FAAHCES1CA2CA1CA9

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