SCHEMBL23919396

SCHEMBL23919396

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(-c3ccc(OC)cc3)cc2)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SYK P43405 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ AURKB Q96GD4 2/20 0.40
▸ INCENP Q9NQS7 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MET P08581 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL24446080 0.97 POLB (0.41) POLBAPEX1HTTTDP1SYK
SCHEMBL25581427 0.92 POLB (0.39) POLBAPEX1HTTTDP1SYK
SCHEMBL21675423 0.91 POLB (0.43) POLBAPEX1HTTTDP1MAPT
SCHEMBL17485637 0.90 POLB (0.44) POLBAPEX1HTTTDP1SYK
SCHEMBL22592364 0.90 POLB (0.39) POLBAPEX1HTTTDP1SYK
SCHEMBL21693481 0.90 POLB (0.40) POLBAPEX1HTTTDP1MAPT
SCHEMBL21254298 0.89 POLB (0.41) POLBAPEX1HTTTDP1SYK
SCHEMBL23543275 0.89 POLB (0.41) POLBAPEX1HTTTDP1SYK
SCHEMBL21693482 0.88 POLB (0.40) POLBAPEX1HTTTDP1SYK
SCHEMBL23919397 0.88 POLB (0.37) POLBAPEX1HTTTDP1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219656-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-08-02 — — EP disclosed
EP-4194529-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-06-14 — — EP disclosed
EP-3892706-A2 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2021-10-13 — — EP disclosed
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