SCHEMBL5717337

SCHEMBL5717337

NOC(=O)C1(S(=O)(=O)N2CCC(COCc3ccccc3)CC2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5717257 0.90 ADAMTS4 (0.42) ADAMTS4MMP2MMP9MMP13MMP14
SCHEMBL5717442 0.88 ADAMTS4 (0.40) ADAMTS4MMP2MMP9MMP13MMP14
SCHEMBL5717480 0.86 MMP13 (0.46) MMP2MMP9MMP13MMP14MAPT
SCHEMBL5717228 0.79 MMP2 (0.42) MMP2MMP9MMP13MMP14ALDH1A1
SCHEMBL6099820 0.78 MEN1 (0.52) MMP2MMP13SMN1; SMN2NPSR1LMNA
SCHEMBL5717230 0.77 MMP2 (0.40) MMP2MMP9MMP13MMP14SMN1; SMN2
SCHEMBL6219195 0.76 ADAMTS4 (0.39) ADAMTS4MMP2MMP9MMP13MMP14
SCHEMBL6097362 0.76 SMN1; SMN2 (0.56) MMP2MMP13SMN1; SMN2NPSR1LMNA
SCHEMBL5717209 0.76 MMP2 (0.52) MMP2MMP9MMP13MMP14
SCHEMBL6096056 0.72 MMP2 (0.53) MMP2MMP9MMP13SMN1; SMN2NPSR1

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-1689743-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2006-08-16 EP disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed