SCHEMBL7348382

SCHEMBL7348382

CSC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.60
ADAMTS4 O75173 5/20 0.56
MMP13 P45452 7/20 0.53
MMP2 P08253 7/20 0.53
MMP3 P08254 3/20 0.53
MMP1 P03956 3/20 0.53
MMP7 P09237 1/20 0.53
TARS1 P26639 1/20 0.47
FFAR1 O14842 1/20 0.47
MMP14 P50281 2/20 0.45
ADAMTS5 Q9UNA0 2/20 0.45
MEP1B Q16820 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
PGR P06401 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7355956 0.90 MMP9 (0.48) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL6271062 0.90 MMP9 (0.57) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7347577 0.90 MMP9 (0.54) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7417820 0.87 SLC1A3 (0.55) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7354064 0.87 MMP9 (0.69) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7355442 0.85 MMP9 (0.54) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7763089 0.84 MMP9 (0.53) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL6270601 0.81 MMP9 (0.46) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL6270025 0.79 MMP9 (0.45) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL6528257 0.79 ADAM17 (0.67) MMP9MMP13MMP2MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973748-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 2000-01-26 EP disclosed
US-5985900-A TREATING TUMOR GROWTH, INVASION OR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CHRONIC DERMAL WOUNDS, CORNEAL ULCERATION, DEGENERATIVE SKIN DISORDERS, MULTIPLE SCLEROSIS, STROKE, ATHEROSCLEROSIS, AGOURON PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1998043963-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 WO disclosed