SCHEMBL8104660

SCHEMBL8104660

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(O)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
USP30 Q70CQ3 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
CCR5 P51681 2/20 0.38
NR1D1 P20393 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MCL1 Q07820 3/20 0.37
HSD11B1 P28845 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL8104667 1.00 POLB (0.42) POLBALDH1A1LMNAMAPTUSP30
SCHEMBL8094828 0.91 ALDH1A1 (0.45) ALDH1A1LMNAMAPTUSP30FPR3
SCHEMBL7450687 0.89 KMT2A (0.43) ALDH1A1LMNAMAPTUSP30CYP3A4
SCHEMBL7450693 0.89 KMT2A (0.43) ALDH1A1LMNAMAPTUSP30CYP3A4
SCHEMBL8095366 0.89 MCL1 (0.40) ALDH1A1LMNAMAPTUSP30FPR3
SCHEMBL8110299 0.89 CTSK (0.44) ALDH1A1LMNAMAPTUSP30CYP3A4
SCHEMBL8435168 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTUSP30L3MBTL1
SCHEMBL8435165 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTUSP30L3MBTL1
SCHEMBL8102739 0.84 MAPT (0.45) ALDH1A1LMNAMAPTCYP3A4L3MBTL1
SCHEMBL8102743 0.84 MAPT (0.45) ALDH1A1LMNAMAPTCYP3A4L3MBTL1

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