SCHEMBL7435598

SCHEMBL7435598

COC(=O)C=CCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.40
DRD2 P14416 2/20 0.40
EPHX2 P34913 3/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8411414 1.00 TDP1 (0.58) TDP1MAOAMAOBCA12CA1
SCHEMBL3464768 0.98 TDP1 (0.55) TDP1MAOAMAOBCA12CA1
SCHEMBL28922732 0.94 TDP1 (0.53) TDP1MAOAMAOBCA12CA1
SCHEMBL16498642 0.88 TDP1 (0.47) TDP1MAOAMAOBCA12CA1
SCHEMBL16498645 0.88 TDP1 (0.47) TDP1MAOAMAOBCA12CA1
SCHEMBL7438984 0.87 TDP1 (0.59) TDP1MAOAMAOBCA12CA1
SCHEMBL8411840 0.87 TDP1 (0.59) TDP1MAOAMAOBCA12CA1
SCHEMBL13504656 0.86 TDP1 (0.54) TDP1MAOAMAOBCA12CA1
SCHEMBL3462865 0.85 TDP1 (0.57) TDP1MAOAMAOBCA12CA1
SCHEMBL3462867 0.85 TDP1 (0.57) TDP1MAOAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454651-B1 Novel platelet-aggregation inhibitors MONSANTO CO (US) 1999-07-28 EP disclosed
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed
US-5091396-A Guanidinoalkanoylaspartylpyridine derivatives; anticoagulants MONSANTO CO. (US) 1992-02-25 US disclosed
EP-0454651-A2 Novel platelet-aggregation inhibitors MONSANTO COMPANY (US) 1991-10-30 EP disclosed
US-5037808-A Indolyl platelet-aggregation inhibitors MONSANTO CO. (US) 1991-08-06 US disclosed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed