SCHEMBL20032595

SCHEMBL20032595

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(OC(=O)C(=C)C)cc2)c(OCCOC(=O)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ SRD5A2 P31213 3/20 0.37
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33

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
SCHEMBL17485637 0.94 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL21675423 0.93 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL20032596 0.91 TDP1 (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL21254298 0.90 POLB (0.41) POLBAPEX1HTTTDP1ELANE
SCHEMBL22072003 0.89 POLB (0.39) POLBAPEX1HTTTDP1ELANE
SCHEMBL21693481 0.89 POLB (0.40) POLBAPEX1HTTTDP1ELANE
SCHEMBL19624269 0.88 HTT (0.42) POLBAPEX1HTTTDP1ELANE
SCHEMBL29333409 0.88 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL25933597 0.88 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL25943857 0.87 POLB (0.36) POLBAPEX1HTTTDP1ELANE

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
US-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
US-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
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