SCHEMBL7761865

SCHEMBL7761865

CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(C(=O)OCC)CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.50
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MMP8 P22894 2/20 0.43
KLKB1 P03952 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ATM Q13315 1/20 0.43
CHRNB2 P17787 1/20 0.42

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
SCHEMBL7765664 0.93 MMP8 (0.51) L3MBTL1ITGB1ITGA4ITGB7MMP1
SCHEMBL7762771 0.93 MMP8 (0.51) L3MBTL1ITGB1ITGA4ITGB7MMP1
SCHEMBL7765671 0.91 MMP1 (0.56) L3MBTL1ITGB1ITGA4ITGB7MMP1
SCHEMBL7202935 0.88 MMP1 (0.53) ITGB1ITGA4ITGB7MMP1MMP2
SCHEMBL7406067 0.87 ITGB1 (0.61) L3MBTL1ITGB1ITGA4ITGB7MMP8
SCHEMBL7763984 0.86 MMP1 (0.55) ITGB1ITGA4ITGB7MMP1HDAC8
SCHEMBL7761903 0.85 ITGB1 (0.52) L3MBTL1POLBITGB1ITGA4ITGB7
SCHEMBL9229825 0.84 TACR1 (0.54) L3MBTL1POLBITGB1ITGA4ITGB7
SCHEMBL7406177 0.84 ITGB1 (0.48) L3MBTL1ITGB1ITGA4ITGB7MMP1
SCHEMBL7405239 0.84 ITGB1 (0.50) L3MBTL1ITGB1ITGA4ITGB7MMP1

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