SCHEMBL7319472

SCHEMBL7319472

Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O)cc1.O=C(CBr)CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.51
PLAU P00749 2/20 0.51
GAA P10253 1/20 0.47
MMP9 P14780 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
POLB P06746 1/20 0.44
NPY5R Q15761 1/20 0.43
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7326793 0.94 PLAT (0.56) PLATPLAUGAAMMP9MMP1
SCHEMBL7319479 0.92 PLAT (0.52) PLATPLAUGAAMMP9MMP1
SCHEMBL7327675 0.84 PLAT (0.47) PLATPLAUGAAMMP9MMP1
SCHEMBL7312775 0.84 PLAT (0.51) PLATPLAUGAAMMP9MMP1
SCHEMBL5572779 0.84 PLAU (0.61) PLATPLAUGAAMMP9MMP2
SCHEMBL11579544 0.79 SMN1; SMN2 (0.59) PLATPLAUGAAMMP9MMP1
SCHEMBL7327681 0.79 PLAT (0.44) PLATPLAUGAAMMP9MMP1
SCHEMBL9502323 0.78 LTA4H (0.57) MMELTA4HANPEPECE1
SCHEMBL9503483 0.78 LTA4H (0.57) MMELTA4HANPEPECE1
SCHEMBL7327671 0.75 PSMB5 (0.58) L3MBTL1CTSLMMELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed