SCHEMBL23744956

SCHEMBL23744956

CC(=O)Nc1ccc(OCCOCCOCCOCCN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPT P10636 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TBXAS1 P24557 1/20 0.51
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
OPRK1 P41145 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
Diamfenetide SCHEMBL168664 0.92 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL12322301 0.91 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9795852 0.89 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL11111056 0.87 ALDH1A1 (0.80) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL12287264 0.86 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL11070291 0.86 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL30693907 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL25395866 0.86 KMT2A (0.71) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL10889365 0.86 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15223764 0.86 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1LMNA

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed