SCHEMBL7327681

SCHEMBL7327681

Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O)cc1.O=C(C(F)(F)Oc1ccc(F)c(F)c1F)C(F)(F)Oc1ccc(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.44
PLAU P00749 2/20 0.44
MMP9 P14780 3/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTSL P07711 1/20 0.36
POLB P06746 2/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
NPY5R Q15761 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
SCHEMBL7326793 0.84 PLAT (0.56) PLATPLAUMMP9MMP1MMP2
SCHEMBL7320091 0.81 KLKB1 (0.46) CTSL
SCHEMBL7319479 0.80 PLAT (0.52) PLATPLAUMMP9MMP1MMP2
SCHEMBL7327675 0.80 PLAT (0.47) PLATPLAUMMP9MMP1MMP2
SCHEMBL7316196 0.79 CAPN1 (0.52) CTSL
SCHEMBL7319472 0.79 PLAT (0.51) PLATPLAUMMP9MMP1MMP2
Hydrochloric Acid SCHEMBL7348813 0.76 LTA4H (0.42)
SCHEMBL7312775 0.76 PLAT (0.51) PLATPLAUMMP9MMP1MMP2
SCHEMBL5572779 0.74 PLAU (0.61) PLATPLAUMMP9MMP2GAA
SCHEMBL11579544 0.70 SMN1; SMN2 (0.59) PLATPLAUMMP9MMP1MMP2

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