SCHEMBL8436015

SCHEMBL8436015

CS(=O)(=O)OC1C[C@@H](C(=O)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
CCR5 P51681 2/20 0.40
MAOB P27338 1/20 0.38
MCL1 Q07820 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 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
SCHEMBL8436018 1.00 TDP1 (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL10513490 1.00 TDP1 (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL10513485 1.00 TDP1 (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9519895 0.93 TDP1 (0.42) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9043536 0.92 TDP1 (0.40) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9520375 0.92 ALDH1A1 (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9207906 0.91 RAB9A (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9520632 0.91 RAB9A (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL7807884 0.90 MMP2 (0.45) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9266276 0.89 ALDH1A1 (0.39) TDP1ALDH1A1MAPTATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed