SCHEMBL28839919

SCHEMBL28839919

CCCCc1ccc(B2OCC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 8/20 0.64
▸ LIPG Q9Y5X9 8/20 0.64
▸ F11 P03951 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ ESR2 Q92731 1/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ HSD11B1 P28845 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
SCHEMBL28128199 0.94 LPL (0.72) LPLLIPGALDH1A1HSD17B10
SCHEMBL28128198 0.94 LPL (0.72) LPLLIPGALDH1A1HSD17B10
SCHEMBL28128536 0.94 LPL (0.72) LPLLIPGALDH1A1HSD17B10
SCHEMBL28128547 0.94 LPL (0.72) LPLLIPGALDH1A1HSD17B10
SCHEMBL28128548 0.94 LPL (0.72) LPLLIPGALDH1A1HSD17B10
SCHEMBL28128535 0.94 LPL (0.72) LPLLIPGALDH1A1HSD17B10
SCHEMBL13471474 0.83 LIPG (0.90) LPLLIPGF11F2PRSS1
SCHEMBL16583519 0.83 LPL (0.46) LPLLIPGF11F2PRSS1
SCHEMBL27949914 0.81 LPL (0.52) LPLLIPG
SCHEMBL22745551 0.79 LPL (1.00) LPLLIPGF11F2PRSS1

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-103534830-B Organic semiconductor material 国立大学法人东京工业大学 2017-03-01 — — CN disclosed
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