SCHEMBL7414840

SCHEMBL7414840

C=CCOC(=O)C(CC(N)=O)NS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MMP2 P08253 13/20 0.45
MMP9 P14780 8/20 0.45
MMP13 P45452 7/20 0.45
MMP1 P03956 5/20 0.45
MMP8 P22894 3/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MMP3 P08254 6/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.44
MMP7 P09237 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 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
SCHEMBL7414842 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7344297 0.87 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7344292 0.87 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7414550 0.84 HSD17B10 (0.48) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7414546 0.84 HSD17B10 (0.48) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7413170 0.82 MMP2 (0.48) MMP2MMP9MMP13MMP1MMP8
SCHEMBL7341150 0.82 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL22234176 0.82 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL3120047 0.82 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL29541878 0.81 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed