SCHEMBL8084679

SCHEMBL8084679

CO[C@H](C(=O)O)[C@@H](CCCCCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FAAH O00519 1/20 0.47
LTB4R Q15722 3/20 0.45
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
ALOX5 P09917 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL8085443 0.94 GRIK1 (0.48) MAPTRXFP1
SCHEMBL8085467 0.94 GRIK1 (0.48) MAPTRXFP1
SCHEMBL8077436 0.84 FAAH (0.47) TRPA1MAPTRXFP1FAAHALOX5
SCHEMBL8084641 0.84 GRIK1 (0.44)
SCHEMBL8085479 0.83 FAAH (0.42) TRPA1FAAHS1PR2S1PR4S1PR1
SCHEMBL7319532 0.83 MAPT (0.51) TRPA1MAPTRXFP1LTB4RS1PR2
SCHEMBL5514990 0.81 PPARG (0.54) TRPA1MAPTRXFP1FAAHLTB4R
SCHEMBL29015070 0.79 TRPA1 (0.51) TRPA1MAPTRXFP1FAAHLTB4R
SCHEMBL28014450 0.78 GRIK1 (0.57) TRPA1MAPTRXFP1
SCHEMBL8084566 0.78 KMT2A (0.43)

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