SCHEMBL7763541

SCHEMBL7763541

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
CPB2 Q96IY4 2/20 0.45
GNPAT O15228 1/20 0.44
ERAP2 Q6P179 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
PYGL P06737 1/20 0.42
ECE1 P42892 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2 P00734 1/20 0.41

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
Aniline SCHEMBL7762804 0.95 MMP9 (0.45) MMP9MMP8MMP14CPB2GNPAT
SCHEMBL7759040 0.87 CPB2 (0.46) CPB2GNPATERAP2LNPEPKMT2A
SCHEMBL5587642 0.87 MMP9 (0.63) MMP9MMP8MMP14KMT2APYGL
SCHEMBL14513403 0.87 MMP9 (0.63) MMP9MMP8MMP14KMT2APYGL
SCHEMBL7759027 0.86 CPB2 (0.50) MMP8CPB2GNPATERAP2LNPEP
SCHEMBL7762775 0.85 CPB2 (0.49) CPB2GNPATERAP2LNPEPKMT2A
SCHEMBL7761873 0.85 GNPAT (0.52) CPB2GNPATERAP2LNPEPECE1
SCHEMBL7206070 0.83 MMP9 (0.59) MMP9MMP8MMP14PYGL
SCHEMBL7206063 0.83 MMP9 (0.59) MMP9MMP8MMP14PYGL
Hydrochloric Acid SCHEMBL7205259 0.83 MMP9 (0.51) MMP9MMP8MMP14PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed