SCHEMBL7306476

SCHEMBL7306476

O=C(O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
IDH1 O75874 10/20 0.45
FAAH O00519 1/20 0.44
PPARA Q07869 2/20 0.42
HDAC1 Q13547 2/20 0.42
IL6ST P40189 1/20 0.42
ABCB1 P08183 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
SCHEMBL2501460 0.88 NAAA (0.48) NAAAIDH1FAAHPPARAIL6ST
SCHEMBL3097863 0.88 NAAA (0.45) NAAAIDH1FAAHPPARAHDAC1
SCHEMBL46356 0.88 NAAA (0.48) NAAAIDH1FAAHPPARAIL6ST
SCHEMBL15586928 0.88 NAAA (0.45) NAAAIDH1FAAHPPARAHDAC1
SCHEMBL2501454 0.88 NAAA (0.48) NAAAIDH1FAAHPPARAIL6ST
SCHEMBL5662777 0.87 CACNA1G (0.40) NAAAIDH1FAAHHDAC1
SCHEMBL7346791 0.87 NAAA (0.47) NAAAIDH1FAAHPPARAIL6ST
SCHEMBL1915643 0.87 NAAA (0.47) NAAAIDH1FAAHPPARAIL6ST
SCHEMBL1915646 0.87 NAAA (0.47) NAAAIDH1FAAHPPARAIL6ST
SCHEMBL548889 0.87 NAAA (0.50) NAAAIDH1FAAHPPARAHDAC1

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
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
EP-0465369-B1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1994-04-13 EP disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 US disclosed
EP-0465369-A1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-01-08 EP disclosed