SCHEMBL9787729

SCHEMBL9787729

CCOCCOc1ccc(CCNC(=O)c2ccccc2CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SLC6A5 Q9Y345 3/20 0.53
KDM4E B2RXH2 1/20 0.49
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL9787733 0.82 KMT2A (0.64) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9787808 0.81 ACACB (0.57) ALDH1A1
SCHEMBL9439608 0.79 KMT2A (0.53) KMT2AMEN1NPC1RAB9AMAPT
Acetic Acid SCHEMBL9787824 0.77 NPC1 (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9787815 0.75 MAPT (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6597221 0.73 PLA2G4B (0.57) SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL9787734 0.73 ESRRG (0.49) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29926191 0.72 LMNA (0.74) LMNA
SCHEMBL9439602 0.72 SMN1; SMN2 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9787730 0.71 MAPT (0.44) KMT2AMEN1NPC1RAB9AMAPT

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-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed