SCHEMBL29838121

SCHEMBL29838121

CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cc3ccccc3cc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.52
LIPG Q9Y5X9 12/20 0.52
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.36
P4HB P07237 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ROCK1 Q13464 1/20 0.34
BACE1 P56817 1/20 0.34
SNCA P37840 1/20 0.33

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
SCHEMBL12860020 1.00 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL19636272 0.91 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL16435209 0.88 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL69358 0.87 LIPG (0.47) LPLLIPGCA1CA2CA9
SCHEMBL19822204 0.87 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL19827582 0.87 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL19797284 0.87 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL29450660 0.86 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL29674722 0.86 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL70348 0.86 LPL (0.49) LPLLIPGCA1CA2CA9

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-4063353-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Solus Advanced Materials Co., Ltd. (KR) 2022-09-28 EP disclosed