SCHEMBL7345647

SCHEMBL7345647

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.44
MMP2 P08253 7/20 0.42
MMP13 P45452 6/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 6/20 0.42
MMP14 P50281 4/20 0.42
MMP3 P08254 3/20 0.42
MMP12 P39900 1/20 0.42
MMP8 P22894 3/20 0.42
PTGES O14684 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 2/20 0.41
SOS1 Q07889 1/20 0.40
MMP16 P51512 2/20 0.40
ADAM17 P78536 1/20 0.40
FFAR1 O14842 1/20 0.40
TARS1 P26639 1/20 0.40
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL6272544 0.90 PGR (0.42) LMNAHTTMMP2MMP13MMP1
SCHEMBL7350929 0.88 LMNA (0.51) LMNAHTTMMP2MMP13MMP1
SCHEMBL7348180 0.86 MMP13 (0.44) LMNAHTTMMP2MMP13MMP1
SCHEMBL3868587 0.79 LMNA (0.55) LMNAHTTMMP2MMP13MMP1
SCHEMBL8444555 0.78 FFAR1 (0.41) LMNAHTTMMP2MMP13MMP1
SCHEMBL6271300 0.77 PGR (0.45) LMNAHTTMMP2MMP13MMP1
SCHEMBL6266996 0.77 SOS1 (0.46) LMNAHTTMMP2MMP13MMP1
SCHEMBL6268200 0.75 MMP9 (0.42) LMNAHTTMMP2MMP13MMP1
SCHEMBL6269959 0.75 TDP1 (0.37) LMNAHTTMMP2MMP13MMP1
SCHEMBL6285289 0.75 SMN1; SMN2 (0.42) LMNAHTTMMP2MMP13MMP1

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