SCHEMBL9520375

SCHEMBL9520375

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAOB P27338 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CCR5 P51681 2/20 0.38
ATM Q13315 1/20 0.38
MAOA P21397 1/20 0.38
HTT P42858 1/20 0.37
HTR2A P28223 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
SCHEMBL9519895 0.93 TDP1 (0.42) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL8436018 0.92 TDP1 (0.41) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL10513490 0.92 TDP1 (0.41) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL8436015 0.92 TDP1 (0.41) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL10513485 0.92 TDP1 (0.41) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL9207906 0.91 RAB9A (0.41) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL9520632 0.91 RAB9A (0.41) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL7807884 0.90 MMP2 (0.45) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9043536 0.90 TDP1 (0.40) ALDH1A1MAOBMAPTHPGDTDP1
SCHEMBL9266276 0.89 ALDH1A1 (0.39) ALDH1A1MAOBMAPTHPGDTDP1

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
EP-0272455-B1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-10 EP disclosed
US-5138064-A Chemical intermediate for penicillin derivative FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-11 US disclosed
US-4921852-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-01 US disclosed
EP-0272455-A1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed