SCHEMBL24244887

SCHEMBL24244887

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(SC)c2)c(OCCOC(O)C(=C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL29333409 0.93 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL25933597 0.93 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL24355953 0.93 POLB (0.37) POLBAPEX1HTTTDP1ELANE
SCHEMBL23643528 0.93 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL25118254 0.89 SRD5A2 (0.35) POLBAPEX1HTTTDP1ELANE
SCHEMBL25943857 0.88 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL17485637 0.85 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL19881906 0.85 TDP1 (0.34) POLBAPEX1HTTTDP1ELANE
SCHEMBL23544524 0.85 TDP1 (0.34) POLBAPEX1HTTTDP1ELANE
SCHEMBL18511121 0.84 POLB (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950670-A1 POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2022-02-09 — — EP disclosed
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