SCHEMBL9257772

SCHEMBL9257772

NC(=O)CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.73
MMP2 P08253 13/20 0.73
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
MMP8 P22894 5/20 0.57
MMP13 P45452 1/20 0.57
ADAMTS4 O75173 1/20 0.57
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MMP12 P39900 4/20 0.52
MMP14 P50281 4/20 0.52
ALDH1A1 P00352 1/20 0.50
F2 P00734 1/20 0.49

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
SCHEMBL8993739 0.90 MMP9 (0.71) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL8622042 0.90 MMP9 (0.71) MMP9MMP2SLC1A3SLC1A2SLC1A1
Succinamide SCHEMBL27383851 0.89 MMP2 (0.57) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL26606049 0.87 SLC1A3 (0.61) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL26606040 0.87 SLC1A3 (0.61) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL6574668 0.85 MMP9 (0.86) MMP9MMP2MMP8MMP13ADAMTS4
SCHEMBL6964707 0.84 SLC1A3 (0.64) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL8507685 0.84 MMP9 (1.00) MMP9MMP2MMP8MMP13ADAMTS4
SCHEMBL7955730 0.84 SLC1A3 (0.64) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL8715885 0.84 MMP9 (0.73) MMP9MMP2SLC1A3SLC1A2SLC1A1

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-0668869-A1 2- 3-(4-AMIDINOPHENYL)]PROPIONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1995-08-30 EP disclosed
WO-1993001208-A1 2-[3-(4-AMIDINOPHENYL)]PROPIONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-01-21 WO disclosed