SCHEMBL8453232

SCHEMBL8453232

CCOC(=O)C(O)CN(CC(C)C)C(=O)NC(CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ MME P08473 2/20 0.37
▸ ACE P12821 2/20 0.37
▸ CYP26A1 O43174 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ SLC6A4 P31645 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
SCHEMBL8447366 0.90 MME (0.47) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL8454133 0.89 CYP26A1 (0.51) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL8447834 0.88 CYP26A1 (0.45) ALDH1A1MAPTLMNAKDM4EFFAR1
SCHEMBL8451866 0.87 MME (0.50) KMT2AFFAR1MMEACECYP26A1
SCHEMBL8452086 0.87 MME (0.46) ALDH1A1KMT2AKDM4EMMEACE
SCHEMBL8452846 0.85 POLB (0.43) ALDH1A1KMT2AFFAR1MMEACE
SCHEMBL8447801 0.80 MME (0.52) MMEACESLC6A4
SCHEMBL8032858 0.80 MME (0.61) KMT2AMMEACE
SCHEMBL8032865 0.80 MME (0.61) KMT2AMMEACE
SCHEMBL8127278 0.79 MAPT (0.50) ALDH1A1KMT2AMAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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