SCHEMBL16573121

SCHEMBL16573121

C=C(C)C(=O)OCCC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)c(OC(=O)CCOC(=O)C(=C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BACE1 P56817 1/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL16559863 0.91 ELANE (0.33) ELANEHTTPOLBAPEX1TDP1
SCHEMBL16559839 0.88 ELANE (0.40) ELANEHTTPOLBAPEX1TDP1
SCHEMBL16844797 0.87 ELANE (0.38) ELANEHTTPOLBAPEX1TDP1
SCHEMBL16844799 0.87 ELANE (0.38) ELANEHTTPOLBAPEX1TDP1
SCHEMBL16351988 0.86 ELANE (0.47) ELANEHTTPOLBAPEX1TDP1
SCHEMBL21101841 0.85 ELANE (0.50) ELANEBACE1KMT2AATMMAPT
SCHEMBL19159458 0.84 BACE1 (0.38) ELANEHTTPOLBAPEX1TDP1
SCHEMBL18358976 0.84 ELANE (0.37) ELANEHTTPOLBAPEX1TDP1
SCHEMBL17433313 0.84 ELANE (0.49) ELANETDP1BACE1KMT2AATM
SCHEMBL15338965 0.83 BACE1 (0.49) ELANEPOLBBACE1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848676-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
EP-2848676-A2 Liquid crystal medium Merck Patent GmbH (DE) 2015-03-18 — — EP disclosed
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