SCHEMBL10698245

SCHEMBL10698245

O=C(O)CC(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
HTR2A P28223 1/20 0.38
RAB9A P51151 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL8098780 0.84 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8107586 0.84 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8098779 0.84 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL7806688 0.83 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10699439 0.83 TDP1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9519946 0.83 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8107960 0.83 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8957551 0.83 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8107959 0.83 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10858260 0.82 DPP8 (0.41) TDP1ATMALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed