SCHEMBL7761879

SCHEMBL7761879

O=C(O)[C@H]1O[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
F13A1 P00488 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.43
SRD5A2 P31213 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
MGLL Q99685 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 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
SCHEMBL14275292 0.94 GAA (0.54) GAABCL9CTNNB1F13A1ALDH1A1
SCHEMBL14275297 0.94 GAA (0.54) GAABCL9CTNNB1F13A1ALDH1A1
SCHEMBL6978503 0.83 BCL9 (0.52) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL7328515 0.82 TDP1 (0.50) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL7338569 0.82 TDP1 (0.50) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL28388872 0.78 GAA (0.46) GAABCL9CTNNB1F13A1ALDH1A1
SCHEMBL27818621 0.78 MGLL (0.52) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL27492526 0.76 GAA (0.49) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL27524001 0.76 GAA (0.49) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL28670395 0.76 GAA (0.56) GAABCL9CTNNB1ALDH1A1SMN1; SMN2

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 3 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
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed