SCHEMBL9728176

SCHEMBL9728176

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9199295 1.00 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9202663 0.92 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9199498 0.90 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9728231 0.90 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9728542 0.90 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9728545 0.90 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9199238 0.83 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9208262 0.83 ALDH1A1 (0.42) MAPTALDH1A1HPGDPOLBATM
SCHEMBL9727854 0.83 ALDH1A1 (0.42) MAPTALDH1A1HPGDPOLBATM
SCHEMBL9728021 0.79 ATM (0.43) MAPTALDH1A1HPGDL3MBTL1ATM

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