SCHEMBL7761851

SCHEMBL7761851

NCCCC[C@H](NC(=O)C1OC1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 2/20 0.48
F2 P00734 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL7763509 0.96 CPB2 (0.51) CPB2ALDH1A1KDM4EL3MBTL1EPHX2
SCHEMBL7761873 0.85 GNPAT (0.52) CPB2F2TDP1
SCHEMBL7759027 0.84 CPB2 (0.50) CPB2
SCHEMBL7762775 0.83 CPB2 (0.49) CPB2
SCHEMBL7759040 0.83 CPB2 (0.46) CPB2
SCHEMBL7758999 0.82 CALCRL (0.54) CPB2
Aniline SCHEMBL7761914 0.81 GNPAT (0.48) CPB2F2
SCHEMBL7765715 0.81 TLR2 (0.54) CPB2L3MBTL1
Aniline SCHEMBL7761901 0.80 CPB2 (0.47) CPB2
SCHEMBL27810312 0.80 TLR2 (0.56) CPB2ALDH1A1L3MBTL1EPHX2F2

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