SCHEMBL8648587

SCHEMBL8648587

CC(N)C(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 12/20 0.76
SLC1A3 P43003 11/20 0.76
SLC1A1 P43005 11/20 0.76
MMP2 P08253 3/20 0.65
MMP3 P08254 3/20 0.65
MMP13 P45452 3/20 0.65
MMP9 P14780 3/20 0.65
ADAMTS4 O75173 3/20 0.65
MMP1 P03956 2/20 0.65
MMP7 P09237 2/20 0.65
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL3973093 0.88 MMP2 (0.82) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL6561375 0.88 MMP2 (0.82) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL21451101 0.88 MMP2 (0.82) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL11588570 0.86 SLC1A2 (1.00) SLC1A2SLC1A3SLC1A1
SCHEMBL15251716 0.82 SLC1A3 (0.60) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL15251715 0.82 SLC1A3 (0.60) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL8458546 0.81 SLC1A2 (0.77) SLC1A2SLC1A3SLC1A1ADAMTS4
SCHEMBL7872813 0.80 SMN1; SMN2 (0.54) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL702794 0.80 ADAMTS4 (0.81) SLC1A2SLC1A3SLC1A1MMP2MMP3
SCHEMBL790069 0.80 ADAMTS4 (0.81) SLC1A2SLC1A3SLC1A1MMP2MMP3

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-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed