SCHEMBL7291982

SCHEMBL7291982

CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C(C)C)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.76
MMP9 P14780 11/20 0.63
MMP2 P08253 10/20 0.63
MMP1 P03956 1/20 0.58
MMP14 P50281 1/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 2/20 0.58
KCNA5 P22460 1/20 0.57
HTT P42858 1/20 0.56
MMP7 P09237 1/20 0.55

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
SCHEMBL3125448 0.86 NR3C1 (1.00) NR3C1
SCHEMBL3575003 0.83 NR3C1 (0.77) NR3C1MMP2MMP1MMP14
SCHEMBL3123139 0.82 NR3C2 (0.73) NR3C1MMP9MMP2KMT2AMEN1
SCHEMBL3123148 0.82 NR3C2 (0.73) NR3C1MMP9MMP2KMT2AMEN1
SCHEMBL30006844 0.82 NR3C2 (0.73) NR3C1MMP9MMP2KMT2AMEN1
SCHEMBL3134951 0.82 NR3C2 (0.73) NR3C1MMP9MMP2KMT2AMEN1
SCHEMBL5191094 0.81 MMP9 (0.89) MMP9MMP2KMT2AMEN1POLB
SCHEMBL6720186 0.81 MMP9 (0.89) MMP9MMP2KMT2AMEN1POLB
SCHEMBL8448692 0.80 MMP9 (0.71) NR3C1MMP9MMP2KMT2AMEN1
SCHEMBL8448689 0.80 MMP9 (0.71) NR3C1MMP9MMP2KMT2AMEN1

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