SCHEMBL8092704

SCHEMBL8092704

CCC(C[C@H](CC(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
SLC15A1 P46059 2/20 0.41
PPARA Q07869 2/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC1A1 P43005 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 2/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL17756167 0.82 SLC15A1 (0.40) SYKSLC15A1PPARACA2CA9
SCHEMBL1704913 0.77 CPA1 (0.60) SLC15A1CA2CA9SLC1A1SLC1A3
SCHEMBL1915766 0.77 CPA1 (0.60) SLC15A1CA2CA9SLC1A1SLC1A3
SCHEMBL1704171 0.77 CPA1 (0.60) SLC15A1CA2CA9SLC1A1SLC1A3
SCHEMBL8879006 0.77 SLC1A1 (0.49) PPARASLC1A1SLC1A3SLC1A2CYP1A2
SCHEMBL5492424 0.77 SLC1A1 (0.50) SYKSLC15A1PPARACA2CA9
SCHEMBL2410585 0.76 PPARA (0.49) SLC15A1PPARACA2CA9SLC1A1
SCHEMBL2410580 0.76 PPARA (0.49) SLC15A1PPARACA2CA9SLC1A1
SCHEMBL17756152 0.76 PPARA (0.49) SLC15A1PPARACA2CA9SLC1A1
SCHEMBL8092700 0.76 PPARA (0.41) SYKPPARASLC1A1SLC1A3SLC1A2

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-0821666-B1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-12-27 EP disclosed
US-5840939-A Derivatives of succinamide and their use as metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 1998-11-24 US disclosed