SCHEMBL14985284

SCHEMBL14985284

CCOc1ccc(CCNC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1OCC

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
NPC1 O15118 1/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL14985280 0.93 SMN1; SMN2 (0.70) GAASMN1; SMN2LMNANPC1POLB
SCHEMBL14975698 0.91 SMN1; SMN2 (0.72) GAASMN1; SMN2LMNANPC1POLB
SCHEMBL11446232 0.79 KMT2A (0.67) GAASMN1; SMN2LMNAPOLBMEN1
SCHEMBL6842122 0.79 HDAC2 (0.80) SMN1; SMN2LMNANPC1MEN1KMT2A
SCHEMBL14985314 0.77 GAA (0.64) GAASMN1; SMN2LMNANPC1MEN1
SCHEMBL14976194 0.77 LMNA (0.67) GAASMN1; SMN2LMNANPC1MEN1
SCHEMBL14976630 0.76 KMT2A (0.63) GAASMN1; SMN2POLBMEN1KMT2A
SCHEMBL6270935 0.75 ALDH1A1 (0.77) GAASMN1; SMN2NPC1POLBMEN1
SCHEMBL29356619 0.75 ALDH1A1 (0.77) GAASMN1; SMN2NPC1POLBMEN1
SCHEMBL11716101 0.74 MTNR1B (0.68) GAASMN1; SMN2NPC1MEN1KMT2A

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
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed