SCHEMBL9520260

SCHEMBL9520260

CC(=O)S[C@H]1C[C@@H](COC(C)(C)C(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
ECE1 P42892 1/20 0.35
CCR5 P51681 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 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
SCHEMBL9522365 0.88 ALDH1A1 (0.36) ALDH1A1MAPTATMHPGDECE1
SCHEMBL9518937 0.87 ALDH1A1 (0.38) ALDH1A1MAPTATMHPGDCCR5
SCHEMBL10371377 0.86 ALDH1A1 (0.39) ALDH1A1MAPTATMHPGDECE1
SCHEMBL10390470 0.86 ATM (0.39) ALDH1A1MAPTATMHPGDECE1
SCHEMBL9519012 0.86 ECE1 (0.39) ALDH1A1MAPTATMHPGDECE1
SCHEMBL10368777 0.86 ATM (0.39) ALDH1A1MAPTATMHPGDTDP1
SCHEMBL9519170 0.85 DPP8 (0.38) ALDH1A1MAPTATMHPGDECE1
SCHEMBL9519188 0.84 ECE1 (0.38) ALDH1A1MAPTATMHPGDECE1
SCHEMBL10862442 0.84 ECE1 (0.37) ALDH1A1MAPTATMHPGDECE1
SCHEMBL10391485 0.84 ECE1 (0.37) ALDH1A1MAPTATMHPGDECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-B1 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) 1993-07-28 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
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
US-RE32653-E FUEL ADDITIVES, PROTECTIVE COATINGS THE LUBRIZOL CORPORATION (US) 1988-04-26 US disclosed
US-RE32235-E Magnesium-containing complexes, method for their preparation, and compositions containing the same THE LUBRIZOL CORPORATION (US) 1986-08-26 US disclosed