SCHEMBL23544524

SCHEMBL23544524

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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ 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
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ RARA P10276 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
SCHEMBL19881906 1.00 TDP1 (0.34) TDP1POLBAPEX1HTTMAPT
SCHEMBL25118254 0.93 SRD5A2 (0.35) TDP1POLBAPEX1HTTCYP1A2
SCHEMBL17485689 0.92 TDP1 (0.39) TDP1POLBAPEX1HTTMAPT
SCHEMBL24355953 0.92 POLB (0.37) TDP1POLBAPEX1HTTMAPT
SCHEMBL21891797 0.91 POLB (0.36) TDP1POLBAPEX1HTTMAPT
SCHEMBL29333409 0.91 POLB (0.38) TDP1POLBAPEX1HTTCYP1A2
SCHEMBL25933597 0.91 POLB (0.38) TDP1POLBAPEX1HTTCYP1A2
SCHEMBL20032596 0.90 TDP1 (0.36) TDP1POLBAPEX1HTTMAPT
SCHEMBL22381392 0.89 TDP1 (0.36) TDP1POLBAPEX1HTTMAPT
SCHEMBL21254347 0.89 POLB (0.36) TDP1POLBAPEX1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3839620-A1 DEVICE FOR THE REGULATION OF LIGHT TRANSMISSION Merck Patent GmbH (DE) 2021-06-23 — — EP disclosed
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