SCHEMBL9199020

SCHEMBL9199020

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
CCR5 P51681 2/20 0.39
PREP P48147 2/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL9844511 1.00 TDP1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9199071 0.91 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9204726 0.90 ALDH1A1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL28803113 0.90 POLB (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8579324 0.90 POLB (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8579326 0.90 POLB (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL5391199 0.90 POLB (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL28459037 0.90 POLB (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9207674 0.90 POLB (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL5391201 0.90 POLB (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411636-B1 Piperidylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-01-04 EP disclosed
US-5153188-A Thienamycin antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-10-06 US disclosed