SCHEMBL9760740

SCHEMBL9760740

CC(C)COC(=O)CC(=O)COCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
BRCA1 P38398 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.87 HSD17B10 (0.48) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL9761079 0.86 L3MBTL1 (0.46) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL4985915 0.84 HSD17B10 (0.50) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL4985724 0.83 L3MBTL1 (0.48) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL4983346 0.83 HSD17B10 (0.53) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL9761313 0.80 SMN1; SMN2 (0.52) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL10766778 0.79 SMN1; SMN2 (0.46) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL7272170 0.79 SMN1; SMN2 (0.46) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL5050634 0.79 NPSR1 (0.61) HSD17B10POLBAPEX1TDP1SMN1; SMN2
SCHEMBL10768404 0.78 POLB (0.46) HSD17B10POLBAPEX1TDP1SMN1; SMN2

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