SCHEMBL21693389

SCHEMBL21693389

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ELANE P08246 14/20 0.39
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35

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
SCHEMBL21675432 0.94 POLB (0.39) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559838 0.90 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL23666192 0.89 ELANE (0.40) POLBAPEX1HTTTDP1ELANE
SCHEMBL24440871 0.89 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL20275159 0.88 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559829 0.87 POLB (0.47) POLBAPEX1HTTTDP1ELANE
SCHEMBL20923612 0.86 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL25936691 0.86 HTT (0.41) POLBAPEX1HTTTDP1ELANE
SCHEMBL19683314 0.85 ELANE (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL23350596 0.85 POLB (0.36) POLBAPEX1HTTTDP1

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
EP-3839008-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2021-06-23 — — EP disclosed
EP-3604481-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-02-05 — — EP disclosed
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