SCHEMBL9519970

SCHEMBL9519970

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10520465 0.90 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1HTT
SCHEMBL9519485 0.87 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL5723979 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTDP1HTT
SCHEMBL9794968 0.78 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTDP1HTR2A
SCHEMBL9462569 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9462194 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1HTR2A
SCHEMBL10519467 0.77 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTDP1HTR2A
SCHEMBL9462451 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1HTR2A
SCHEMBL9466187 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1HTR2A
SCHEMBL8582819 0.76 CYP19A1 (0.39) ALDH1A1MAPTTDP1HTR2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 EP disclosed
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed