SCHEMBL8077436

SCHEMBL8077436

COC(=O)[C@@H](OC)[C@@H](CCCCCc1ccccc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
TRPA1 O75762 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC1 Q13547 2/20 0.43
ALOX5 P09917 1/20 0.43
HDAC2 Q92769 1/20 0.43
NAAA Q02083 1/20 0.43
CES1 P23141 1/20 0.42

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
SCHEMBL8084566 0.94 KMT2A (0.43)
SCHEMBL8084641 0.89 GRIK1 (0.44)
SCHEMBL8089064 0.84 FAAH (0.51) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL8084679 0.84 TRPA1 (0.48) FAAHTRPA1MAPTRXFP1ALOX5
SCHEMBL7326178 0.84 KMT2A (0.48) FAAH
SCHEMBL16673142 0.81 SMN1; SMN2 (0.48) FAAH
SCHEMBL864449 0.80 FAAH (0.54) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL23176819 0.78 S1PR2 (0.50) FAAHTRPA1MAPTRXFP1ALOX5
SCHEMBL6190476 0.78 KMT2A (0.48) FAAHMAPT
SCHEMBL16149006 0.78 KMT2A (0.48) FAAHMAPT

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