SCHEMBL8085443

SCHEMBL8085443

CO[C@H](C(=O)O)C(CCCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 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
SCHEMBL8085467 1.00 GRIK1 (0.48) GRIK1PPARGPPARAHDAC3MAPK1
SCHEMBL8084679 0.94 TRPA1 (0.48) MAPTRXFP1
SCHEMBL8084641 0.89 GRIK1 (0.44) GRIK1PPARGPPARASMN1; SMN2CYP2D6
SCHEMBL28014450 0.84 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3MAPK1
SCHEMBL8084566 0.83 KMT2A (0.43) GRIK1SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL3252245 0.81 GRIK1 (0.51) GRIK1PPARGPPARAHDAC3MAPK1
SCHEMBL24252168 0.80 GRIK1 (0.50) GRIK1PPARGPPARAHDAC3MAPK1
SCHEMBL17510916 0.80 GRIK1 (0.50) GRIK1PPARGPPARAHDAC3MAPK1
SCHEMBL4290341 0.80 GRIK1 (0.50) GRIK1PPARGPPARAHDAC3MAPK1
SCHEMBL6192793 0.80 GRIK1 (0.50) GRIK1PPARGPPARAHDAC3MAPK1

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