SCHEMBL16559832

SCHEMBL16559832

C=C(C)C(=O)OCCOc1cc(OC(=O)COC(=O)C(=C)C)ccc1-c1ccc(OC(=O)C(=C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ GAA P10253 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CA1 P00915 1/20 0.30

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
SCHEMBL16559833 0.91 TDP1 (0.40) TDP1POLBAPEX1HTTKMT2A
SCHEMBL16559839 0.90 ELANE (0.40) TDP1POLBAPEX1HTTKMT2A
SCHEMBL16559838 0.90 POLB (0.44) TDP1POLBAPEX1HTTKMT2A
SCHEMBL24440871 0.89 POLB (0.43) TDP1POLBAPEX1HTTKMT2A
SCHEMBL18308842 0.88 BACE1 (0.39) TDP1KMT2AATMELANEGAA
SCHEMBL19158258 0.87 KMT2A (0.37) TDP1KMT2AATMELANECYP11B1
SCHEMBL18808109 0.87 HTT (0.40) TDP1POLBAPEX1HTTKMT2A
SCHEMBL16559829 0.87 POLB (0.47) TDP1POLBAPEX1HTTKMT2A
SCHEMBL24440804 0.86 POLB (0.41) TDP1POLBAPEX1HTTKMT2A
SCHEMBL25936691 0.86 HTT (0.41) TDP1POLBAPEX1HTTKMT2A

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 6 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
US-9487702-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
US-9487702-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
EP-2848676-A2 Liquid crystal medium Merck Patent GmbH (DE) 2015-03-18 — — EP disclosed
US-20150070609-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2015-03-12 — — US disclosed
US-20150070609-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2015-03-12 — — US disclosed
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