SCHEMBL21115722

SCHEMBL21115722

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)C)cc(-c2ccc(OC(=O)C(C)(C)C)c(F)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ELANE P08246 6/20 0.35
▸ THRB P10828 1/20 0.34
▸ AAK1 Q2M2I8 3/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ FAAH O00519 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ CSF3R Q99062 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31

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
SCHEMBL19159115 0.95 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL21693411 0.92 POLB (0.32) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559830 0.91 POLB (0.41) POLBAPEX1HTTTDP1THRB
SCHEMBL16559845 0.90 POLB (0.40) POLBAPEX1HTTTDP1THRB
SCHEMBL22592280 0.89 ELANE (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL18476361 0.89 ELANE (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559831 0.89 POLB (0.39) POLBAPEX1HTTTDP1ELANE
SCHEMBL18511710 0.87 NR4A2 (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL19914777 0.87 POLB (0.37) POLBAPEX1HTTTDP1ELANE
SCHEMBL22353022 0.86 POLB (0.37) POLBAPEX1HTTTDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720925-B1 WINDOW ELEMENT MERCK PATENT GMBH (DE) 2023-02-15 — — EP disclosed
EP-3604481-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-05-26 — — EP disclosed
EP-3235894-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-12-23 — — EP disclosed
EP-3504292-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2020-05-27 — — EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 — — EP disclosed
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