SCHEMBL7301426

SCHEMBL7301426

COc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.62
MMP2 P08253 11/20 0.62
KCNA5 P22460 1/20 0.57
ADAM17 P78536 2/20 0.56
POLB P06746 2/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NR3C1 P04150 1/20 0.55
PGR P06401 1/20 0.55
NR3C2 P08235 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
SCHEMBL3134215 0.86 NR3C1 (0.74) NR3C1PGRNR3C2
SCHEMBL3123139 0.86 NR3C2 (0.73) MMP9MMP2KCNA5POLBKMT2A
SCHEMBL3134951 0.86 NR3C2 (0.73) MMP9MMP2KCNA5POLBKMT2A
SCHEMBL30006844 0.86 NR3C2 (0.73) MMP9MMP2KCNA5POLBKMT2A
SCHEMBL3123148 0.86 NR3C2 (0.73) MMP9MMP2KCNA5POLBKMT2A
SCHEMBL6435876 0.83 AVPR1B (0.69) POLB
SCHEMBL7290015 0.82 MMP9 (0.74) MMP9MMP2KCNA5ADAM17POLB
SCHEMBL3131411 0.81 NR3C1 (0.70) MMP9MMP2KCNA5KMT2AMEN1
SCHEMBL3131420 0.81 NR3C1 (0.70) MMP9MMP2KCNA5KMT2AMEN1
SCHEMBL3131457 0.81 NR3C1 (0.70) MMP9MMP2KCNA5KMT2AMEN1

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