SCHEMBL7450693

SCHEMBL7450693

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CTSK P43235 2/20 0.43
USP30 Q70CQ3 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KLK7 P49862 1/20 0.41
GFER P55789 1/20 0.41
CTRB1 P17538 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 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
SCHEMBL7450687 1.00 KMT2A (0.43) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8110299 0.97 CTSK (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8102743 0.95 MAPT (0.45) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8102739 0.95 MAPT (0.45) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8094828 0.95 ALDH1A1 (0.45) LMNAMAPTALDH1A1USP30L3MBTL1
SCHEMBL8440251 0.92 TSHR (0.46) KMT2ALMNAMAPTALDH1A1CTSK
SCHEMBL8104660 0.89 POLB (0.42) LMNAMAPTALDH1A1USP30CYP3A4
SCHEMBL8104667 0.89 POLB (0.42) LMNAMAPTALDH1A1USP30CYP3A4
SCHEMBL8095366 0.86 MCL1 (0.40) LMNAMAPTALDH1A1USP30L3MBTL1
SCHEMBL8574927 0.86 CTSK (0.46) KMT2AMEN1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed