SCHEMBL7327675

SCHEMBL7327675

Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O)cc1.O=C(COc1c(F)c(F)c(F)c(F)c1F)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.47
PLAU P00749 2/20 0.47
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP8 P22894 3/20 0.43
MMP1 P03956 3/20 0.43
GAA P10253 1/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.39
NPY5R Q15761 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38

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 0.88 PLAT (0.56) PLATPLAUMMP2MMP9MMP8
SCHEMBL7319472 0.84 PLAT (0.51) PLATPLAUMMP2MMP9MMP8
SCHEMBL7319479 0.84 PLAT (0.52) PLATPLAUMMP2MMP9MMP8
SCHEMBL7312775 0.83 PLAT (0.51) PLATPLAUMMP2MMP9MMP8
SCHEMBL7327681 0.80 PLAT (0.44) PLATPLAUMMP2MMP9MMP8
SCHEMBL7320085 0.80 PSMB5 (0.51) CTSLL3MBTL1
SCHEMBL5572779 0.78 PLAU (0.61) PLATPLAUMMP2MMP9GAA
SCHEMBL7316192 0.77 CAPN1 (0.57) CTSL
Hydrochloric Acid SCHEMBL7348808 0.74 LTA4H (0.46)
SCHEMBL11579544 0.74 SMN1; SMN2 (0.59) PLATPLAUMMP2MMP9MMP8

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