SCHEMBL9761285

SCHEMBL9761285

CCOC(=O)CC(=O)CCOCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 2/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL9760318 0.90 HSD17B10 (0.48) TSHRL3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL4985915 0.88 HSD17B10 (0.50) TSHRL3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL10561030 0.87 POLB (0.55) ALDH1A1SMN1; SMN2GAAPOLBLMNA
SCHEMBL8892737 0.85 POLB (0.55) TSHRALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL22256279 0.83 TSHR (0.55) TSHRSMN1; SMN2GAAPOLBHSD17B10
SCHEMBL9760024 0.82 HDAC8 (0.58) L3MBTL1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL9761396 0.82 HDAC8 (0.58) L3MBTL1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL29260895 0.82 TSHR (0.56) TSHRSMN1; SMN2GAAPOLBHSD17B10
SCHEMBL9760700 0.81 ALDH1A1 (0.47) TSHRL3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL1989875 0.80 ALDH1A1 (0.61) L3MBTL1ALDH1A1POLBMAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026863-A Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4983740-A Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide ADIR ET COMPAGNIE (FR) 1991-01-08 US disclosed
US-4870091-A CALCIUM CHANNEL BLOCKERS ADIR ET CIE (FR) 1989-09-26 US disclosed