SCHEMBL29324281

SCHEMBL29324281

COC(=O)CCC(=O)Nc1ccc(OC(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HTT P42858 2/20 0.72
HPGD P15428 1/20 0.63
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
NLRP1 Q9C000 1/20 0.59
GLA P06280 1/20 0.58
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
PTPRC P08575 2/20 0.54
CTSL P07711 1/20 0.54
PTPN13 Q12923 1/20 0.54
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL13652528 0.81 ALDH1A1 (0.66) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL13745573 0.80 HTT (1.00) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL1948433 0.80 ALDH1A1 (0.64) ALDH1A1HTTKMT2AMAPTNLRP1
SCHEMBL14570553 0.79 HTT (0.73) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL29245711 0.78 ALDH1A1 (0.61) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL2095026 0.77 GLA (0.69) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL5346635 0.77 ALDH1A1 (0.74) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL12646737 0.76 KDM4E (0.62) ALDH1A1HTTKMT2AMAPTGAA
SCHEMBL19921053 0.76 ALDH1A1 (0.69) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL2091569 0.75 GLA (0.71) ALDH1A1HTTHPGDKMT2AMAPT

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-2024149992-A1 IMAGING COMPOUNDS FOR DETECTING OR IMAGING SENESCENT CELLS UNIVERSITY OF DUNDEE (GB) 2024-07-18 WO disclosed