SCHEMBL8102739

SCHEMBL8102739

CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSK P43235 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KLK7 P49862 1/20 0.42
GFER P55789 1/20 0.42
CTRB1 P17538 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL8102743 1.00 MAPT (0.45) MAPTTSHRCYP3A4CYP2C9RAB9A
SCHEMBL7450693 0.95 KMT2A (0.43) MAPTTSHRCYP3A4CYP2C9RAB9A
SCHEMBL7450687 0.95 KMT2A (0.43) MAPTTSHRCYP3A4CYP2C9RAB9A
SCHEMBL8110299 0.92 CTSK (0.44) MAPTTSHRCYP3A4CYP2C9RAB9A
SCHEMBL8094828 0.90 ALDH1A1 (0.45) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL8440251 0.86 TSHR (0.46) MAPTTSHRCYP3A4CYP2C9RAB9A
SCHEMBL27412535 0.85 DPP4 (0.44) MAPTTSHRCYP3A4CYP2C9RAB9A
SCHEMBL8104667 0.84 POLB (0.42) MAPTCYP3A4LMNAALDH1A1L3MBTL1
SCHEMBL8104660 0.84 POLB (0.42) MAPTCYP3A4LMNAALDH1A1L3MBTL1
SCHEMBL8108760 0.83 TSHR (0.44) MAPTTSHRCYP3A4CYP2C9RAB9A

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
CN-1095843-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2002-12-11 CN disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
CN-1209130-A 1-methylcarbapenem derivatives SANKYO CO (JP) 1999-02-24 CN disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed