SCHEMBL29392844

SCHEMBL29392844

CC1(C)c2ccccc2-c2ccc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 8/20 0.44
▸ LIPG Q9Y5X9 8/20 0.44
▸ PDK2 Q15119 2/20 0.42
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ EGFR P00533 2/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ P4HB P07237 1/20 0.34

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
SCHEMBL21102673 1.00 LPL (0.44) LPLLIPGPDK2CA1CA2
SCHEMBL27928758 0.87 PDK2 (0.37) LPLLIPGPDK2CA1CA2
SCHEMBL18127694 0.86 LIPG (0.45) LPLLIPGPDK2CA1CA2
SCHEMBL29450660 0.84 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL70348 0.84 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL29674722 0.84 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL29462256 0.83 PDK2 (0.51) PDK2
SCHEMBL782290 0.83 PDK2 (0.51) PDK2
SCHEMBL12950969 0.83 PDK2 (0.51) PDK2
SCHEMBL1753909 0.82 LIPG (0.59) LPLLIPGPDK2CA1CA2

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
CN-109328402-B Quantum dot light emitting device 陶氏环球技术有限责任公司 2022-02-18 — — CN disclosed
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