SCHEMBL9020920

SCHEMBL9020920

CCOC(=O)CC(NC)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9020176 0.89 MAPT (0.36) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9462604 0.89 MAPT (0.38) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9019973 0.88 MAPT (0.37) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9366796 0.81 MAPT (0.40) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9020306 0.80 MAPT (0.39) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8922092 0.80 MAPT (0.37) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL8689968 0.80 MAPT (0.37) MAPTLMNAALDH1A1HPGDSMN1; SMN2
Formamide SCHEMBL9363163 0.79 MAPT (0.38) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9520614 0.79 MMP2 (0.43) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL8694952 0.79 MAPT (0.36) MAPTLMNAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed