SCHEMBL20032596

SCHEMBL20032596

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2CC)c(OCCOC(=O)C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SRD5A2 P31213 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL17485689 0.95 TDP1 (0.39) TDP1POLBAPEX1HTTMAPT
SCHEMBL21254347 0.92 POLB (0.36) TDP1POLBAPEX1HTTMAPT
SCHEMBL22381392 0.92 TDP1 (0.36) TDP1POLBAPEX1HTTMAPT
SCHEMBL20032595 0.91 POLB (0.39) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL23544524 0.90 TDP1 (0.34) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL19881906 0.90 TDP1 (0.34) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL24158065 0.90 TDP1 (0.35) TDP1POLBAPEX1HTTMAPT
SCHEMBL22072003 0.88 POLB (0.39) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL22592364 0.88 POLB (0.39) TDP1POLBAPEX1HTTMAPT
SCHEMBL21891797 0.87 POLB (0.36) TDP1POLBAPEX1HTTSRD5A2

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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