SCHEMBL8094828

SCHEMBL8094828

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
USP30 Q70CQ3 7/20 0.44
CCR5 P51681 2/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
NR1D1 P20393 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL7450693 0.95 KMT2A (0.43) ALDH1A1LMNAMAPTUSP30L3MBTL1
SCHEMBL7450687 0.95 KMT2A (0.43) ALDH1A1LMNAMAPTUSP30L3MBTL1
SCHEMBL8110299 0.94 CTSK (0.44) ALDH1A1LMNAMAPTUSP30FPR3
SCHEMBL8104660 0.91 POLB (0.42) ALDH1A1LMNAMAPTUSP30CCR5
SCHEMBL8104667 0.91 POLB (0.42) ALDH1A1LMNAMAPTUSP30CCR5
SCHEMBL8102739 0.90 MAPT (0.45) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL8102743 0.90 MAPT (0.45) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL8095366 0.88 MCL1 (0.40) ALDH1A1LMNAMAPTUSP30CCR5
SCHEMBL8440251 0.86 TSHR (0.46) ALDH1A1LMNAMAPTL3MBTL1EPHX2
SCHEMBL8435165 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTUSP30L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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