SCHEMBL12036681

SCHEMBL12036681

CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]32C)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.49
▸ CYP46A1 Q9Y6A2 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ APP P05067 1/20 0.44

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
SCHEMBL14641136 0.87 POLA1 (0.53) POLA1CYP46A1PLA2G2A
SCHEMBL13391627 0.87 POLA1 (0.53) POLA1CYP46A1PLA2G2A
SCHEMBL14602524 0.87 POLA1 (0.53) POLA1CYP46A1PLA2G2A
SCHEMBL9885952 0.87 POLA1 (0.51) POLA1CYP46A1
SCHEMBL15256420 0.85 POLA1 (0.50) POLA1CYP46A1PLA2G2A
SCHEMBL16683692 0.85 POLA1 (0.50) POLA1CYP46A1PLA2G2A
SCHEMBL15255868 0.85 POLA1 (0.50) POLA1CYP46A1PLA2G2A
SCHEMBL140321 0.84 POLA1 (0.70) POLA1CYP46A1PLA2G2A
SCHEMBL412985 0.84 POLA1 (0.70) POLA1CYP46A1PLA2G2A
SCHEMBL767706 0.84 POLA1 (0.70) POLA1CYP46A1PLA2G2A

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
US-8349415-B2 Liquid-crystalline medium and liquid-crystal display having high twist MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-01-08 — — US disclosed
US-20110315924-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY HAVING HIGH TWIST MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DD) 2011-12-29 — — US disclosed
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