SCHEMBL7338569

SCHEMBL7338569

O=C(OCc1ccccc1)[C@H]1O[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 1/20 0.48
HTR2A P28223 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NT5E P21589 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
SCHEMBL7328515 1.00 TDP1 (0.50) TDP1ATMHTR2ARAB9ANPC1
SCHEMBL14275292 0.84 GAA (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14275297 0.84 GAA (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6978503 0.82 BCL9 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL7761879 0.82 GAA (0.49) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1714950 0.80 HTR2A (0.70) TDP1HTR2ARAB9ANPC1ALDH1A1
SCHEMBL27818621 0.77 MGLL (0.52) TDP1HTR2ARAB9ANPC1ALDH1A1
SCHEMBL1803004 0.76 ATM (0.55) ATMHTR2ARAB9ANPC1ALDH1A1
SCHEMBL17726690 0.76 GAA (0.58) HTR2ARAB9ANPC1ALDH1A1CYP2C9
SCHEMBL2386516 0.75 FABP7 (0.54) TDP1RAB9ANPC1ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555479-B1 EPOXYSUCCINAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 1996-12-18 EP disclosed
EP-0407017-B1 Epoxysuccinic acid derivatives useful as specific inhibitors of cathepsin B TAISHO PHARMACEUTICAL CO LTD (JP) 1995-05-17 EP disclosed
US-5281717-A Pharmaceuticals TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-01-25 US disclosed
US-5068354-A Cathepsin B inhibitors, enzyme inhibitors for muscular disorders TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0407017-A1 Epoxysuccinic acid derivatives useful as specific inhibitors of cathepsin B TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-01-09 EP disclosed