SCHEMBL9761079

SCHEMBL9761079

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
AGTR1 P30556 1/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4985724 0.98 L3MBTL1 (0.48) L3MBTL1ALDH1A1AGTR1HSD17B10POLB
SCHEMBL9760740 0.86 HSD17B10 (0.46) L3MBTL1ALDH1A1HSD17B10POLBAPEX1
SCHEMBL4983346 0.85 HSD17B10 (0.53) ALDH1A1HSD17B10POLBAPEX1TDP1
SCHEMBL9760318 0.84 HSD17B10 (0.48) L3MBTL1ALDH1A1HSD17B10POLBAPEX1
SCHEMBL9761313 0.82 SMN1; SMN2 (0.52) ALDH1A1HSD17B10POLBAPEX1TDP1
SCHEMBL4985915 0.81 HSD17B10 (0.50) L3MBTL1ALDH1A1HSD17B10POLBAPEX1
SCHEMBL3183400 0.79 SMN1; SMN2 (0.55) ALDH1A1HSD17B10POLBAPEX1TDP1
SCHEMBL7264731 0.79 HSD17B10 (0.55) L3MBTL1ALDH1A1AGTR1HSD17B10MAPT
SCHEMBL5050634 0.79 NPSR1 (0.61) L3MBTL1ALDH1A1HSD17B10POLBAPEX1
SCHEMBL6943371 0.78 HSD17B10 (0.56) ALDH1A1HSD17B10POLBAPEX1TDP1

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