SCHEMBL7941784

SCHEMBL7941784

CC(C)[C@H](C(=O)NO)N(C)[S+]([O-])c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.42
MMP13 P45452 12/20 0.42
HDAC1 Q13547 1/20 0.40
MMP9 P14780 8/20 0.39
MMP8 P22894 4/20 0.38
MMP1 P03956 3/20 0.38
MMP14 P50281 3/20 0.38
MMP3 P08254 2/20 0.38
MMP16 P51512 2/20 0.38
ADAM17 P78536 2/20 0.38
NPC1 O15118 1/20 0.37
MMP12 P39900 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6930517 0.76 MMP9 (0.42) MMP2MMP13HDAC1MMP9MMP8
SCHEMBL17118279 0.74 MMP2 (0.41) MMP2MMP13HDAC1ADAM17
SCHEMBL1770344 0.73 MMP13 (0.58) MMP2MMP13MMP9MMP8MMP1
SCHEMBL1770435 0.73 MMP13 (0.58) MMP2MMP13MMP9MMP8MMP1
SCHEMBL7946037 0.69 MMP2 (0.64) MMP2MMP13MMP9MMP8MMP3
SCHEMBL7948088 0.68 MMP2 (0.68) MMP2MMP13MMP9MMP8MMP1
SCHEMBL1771410 0.68 MMP2 (0.68) MMP2MMP13MMP9MMP8MMP1
SCHEMBL7948549 0.66 MMP2 (0.71) MMP2MMP13MMP9MMP8MMP1
SCHEMBL1770572 0.66 MMP2 (0.82) MMP2MMP13MMP9MMP8MMP1
SCHEMBL1770621 0.66 MMP2 (0.71) MMP2MMP13MMP9MMP8MMP1

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-2318361-B1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
WO-2010007027-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2010-01-21 WO disclosed