SCHEMBL4621584

SCHEMBL4621584

O=C(O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.50
MMP13 P45452 3/20 0.50
MMP8 P22894 3/20 0.50
MMP1 P03956 1/20 0.50
MMP7 P09237 1/20 0.50
IDO1 P14902 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
MME P08473 2/20 0.47
ACLY P53396 1/20 0.46
MMP2 P08253 5/20 0.44
MMP9 P14780 4/20 0.44
ADAMTS4 O75173 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PKLR P30613 1/20 0.43
CASP1 P29466 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 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
SCHEMBL4623983 1.00 MMP12 (0.50) MMP12MMP13MMP8MMP1MMP7
SCHEMBL4619148 1.00 MMP12 (0.50) MMP12MMP13MMP8MMP1MMP7
Alanine SCHEMBL7615581 0.92 PLG (0.46) MMP12MMP13MMP8MMP1MMP7
SCHEMBL5966471 0.88 MMP2 (0.58) MMP12MMP13MMP8MMP1MMP7
SCHEMBL5966474 0.88 MMP2 (0.58) MMP12MMP13MMP8MMP1MMP7
SCHEMBL7371687 0.86 MMP8 (0.49) MMP12MMP13MMP8MMP1MMP7
Hydrochloric Acid SCHEMBL7650690 0.85 MMP8 (0.48) MMP12MMP13MMP8MMP1MMP7
SCHEMBL2820939 0.84 SLC1A3 (0.59) MMP13MMP8MMP1ITGB3ITGA2B
SCHEMBL7160235 0.84 SLC1A3 (0.59) MMP13MMP8MMP1ITGB3ITGA2B
SCHEMBL7402563 0.84 SLC1A3 (0.59) MMP13MMP8MMP1ITGB3ITGA2B

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-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
EP-1100814-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2001-05-23 EP disclosed
WO-2000005245-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2000-02-03 WO disclosed