SCHEMBL9566853

SCHEMBL9566853

CCOCc1ccc(OC(=O)OCCC(=O)CN)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
FFAR1 O14842 1/20 0.31
CA2 P00918 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
THRA P10827 1/20 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
SCHEMBL9566752 0.87 ALDH1A1 (0.32) MAPTKMT2AACACBFFAR1
SCHEMBL9566773 0.84 MAPT (0.30) MAPTKMT2A
SCHEMBL9515539 0.76 KMT2A (0.37) MAPTKMT2AACACBFFAR1CCNC
SCHEMBL9566840 0.70 KDM4E (0.34) MAPT
SCHEMBL9199754 0.70 ACACB (0.40) MAPTKMT2AACACBTHRA
SCHEMBL9566735 0.68 LNPEP (0.31)
SCHEMBL28366145 0.66 ICAM1 (0.39) MAPTKMT2AFFAR1
SCHEMBL9518131 0.66 AOC3 (0.39) MAPTKMT2AACACBCCNCCDK8
SCHEMBL9566772 0.65 ALDH1A1 (0.38) KMT2AACACB
SCHEMBL18961357 0.65 MAPT (0.44) MAPT

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