SCHEMBL9566840

SCHEMBL9566840

CC(=O)OCc1cc(OC(=O)OCCC(=O)CN)ccn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
LNPEP Q9UIQ6 7/20 0.31
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL9566735 0.85 LNPEP (0.31) LNPEP
SCHEMBL9566752 0.82 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL2464513 0.79 KDM4E (0.48) KDM4EMAPTLNPEPALDH1A1
SCHEMBL9814691 0.74 NOS1 (0.53) KDM4EMAPTALDH1A1
SCHEMBL9566886 0.72 MEN1 (0.41) KDM4EMAPTALDH1A1
SCHEMBL9566853 0.70 CYSLTR2 (0.32) MAPT
SCHEMBL11369806 0.70 GCK (0.49) KDM4ELNPEPALDH1A1
SCHEMBL9566773 0.69 MAPT (0.30) MAPT
SCHEMBL17019021 0.69 ALDH1A1 (0.43) KDM4EMAPTLNPEPALDH1A1
SCHEMBL509101 0.68 ALDH1A1 (0.42) KDM4EALDH1A1

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
EP-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed