SCHEMBL9263165

SCHEMBL9263165

CC(=O)S[C@H]1C[C@@H](C2OCC(NC(=O)OCc3ccc([N+](=O)[O-])cc3)CO2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PREP P48147 2/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
CCR5 P51681 2/20 0.33

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
SCHEMBL9520655 0.89 PREP (0.44) ATMALDH1A1MAPTHPGDPREP
SCHEMBL9521174 0.86 EPHX1 (0.41) EPHX1DPP8DPP9ATMALDH1A1
SCHEMBL9519736 0.84 PREP (0.41) ATMALDH1A1MAPTHPGDPREP
SCHEMBL9520927 0.84 PREP (0.44) ATMALDH1A1MAPTHPGDPREP
SCHEMBL9020225 0.81 NAAA (0.38) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL9365346 0.81 DPP8 (0.39) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL9365352 0.81 DPP8 (0.39) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL9519199 0.81 PREP (0.43) ATMALDH1A1MAPTHPGDPREP
SCHEMBL9519307 0.80 PREP (0.42) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL9366328 0.79 ALDH1A1 (0.38) ATMALDH1A1MAPTHPGDTDP1

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
US-5420122-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
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