SCHEMBL9847237

SCHEMBL9847237

COC(=O)C1CC(O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.49
ANPEP P15144 2/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6771627 1.00 MMP2 (0.49) MMP2ANPEPPOLBALDH1A1MAPT
SCHEMBL9847239 1.00 MMP2 (0.49) MMP2ANPEPPOLBALDH1A1MAPT
SCHEMBL8691622 1.00 MMP2 (0.49) MMP2ANPEPPOLBALDH1A1MAPT
SCHEMBL6778186 0.92 TDP1 (0.48) MMP2ANPEPPOLBALDH1A1MAPT
SCHEMBL9728361 0.92 TDP1 (0.48) MMP2ANPEPPOLBALDH1A1MAPT
SCHEMBL19177149 0.90 ALDH1A1 (0.48) MMP2ANPEPALDH1A1MAPTHPGD
SCHEMBL17447371 0.90 ALDH1A1 (0.48) MMP2ANPEPALDH1A1MAPTHPGD
SCHEMBL9205704 0.90 GAA (0.48) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL9199841 0.90 GAA (0.48) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL9727808 0.90 GAA (0.48) POLBALDH1A1MAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435320-A1 2(2-Cyclopropylpyrrolidin-4-ylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-07-03 EP disclosed