SCHEMBL9728545

SCHEMBL9728545

CCOC(=O)SC1C[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9728542 1.00 MAPT (0.45) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9728231 0.92 MAPT (0.42) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9199498 0.92 MAPT (0.42) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9199238 0.91 MAPT (0.44) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9728176 0.90 MAPT (0.40) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9199295 0.90 MAPT (0.40) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9728362 0.84 GAA (0.44) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9728358 0.84 GAA (0.44) MAPTALDH1A1HPGDATMTDP1
SCHEMBL9202663 0.83 MAPT (0.39) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL6944683 0.82 ALDH1A1 (0.44) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed