SCHEMBL7300504

SCHEMBL7300504

O=C(O)[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.64
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MMP2 P08253 10/20 0.55
MMP9 P14780 10/20 0.55
MMP8 P22894 3/20 0.55
MMP12 P39900 2/20 0.55
MMP14 P50281 2/20 0.55
POLB P06746 1/20 0.54
ADAMTS4 O75173 2/20 0.53
MMP13 P45452 1/20 0.52
LMNA P02545 1/20 0.52
SLC16A3 O15427 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
F2 P00734 1/20 0.50

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
SCHEMBL3310154 0.87 MMP2 (0.71) MMP7SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL31086814 0.87 MMP2 (0.71) MMP7SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL5189194 0.87 MMP2 (0.71) MMP7SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL7290941 0.87 MMP2 (0.71) MMP7SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL8993739 0.86 MMP9 (0.71) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL8622042 0.86 MMP9 (0.71) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL8146180 0.85 ALDH1A1 (0.63) MMP7MMP2MMP9MMP8MMP12
SCHEMBL8707457 0.85 ALDH1A1 (0.63) MMP7MMP2MMP9MMP8MMP12
SCHEMBL8146178 0.85 ALDH1A1 (0.63) MMP7MMP2MMP9MMP8MMP12
SCHEMBL6434896 0.84 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed