SCHEMBL31500552

SCHEMBL31500552

CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 9/20 0.39
▸ LIPG Q9Y5X9 9/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ CTNNB1 P35222 5/20 0.38
▸ WNT3A P56704 5/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36

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
SCHEMBL461205 1.00 LPL (0.39) LPLLIPGCLK1DYRK1ADYRK1B
SCHEMBL4427556 0.91 PRKCI (0.41) LPLLIPGDYRK1ADYRK1BIRAK4
SCHEMBL29775936 0.91 PRKCI (0.41) LPLLIPGDYRK1ADYRK1BIRAK4
SCHEMBL17042528 0.88 LPL (0.39) LPLLIPGCTNNB1WNT3AP2RX7
SCHEMBL23653004 0.87 DYRK1A (0.36) LPLLIPGCLK1DYRK1ADYRK1B
SCHEMBL15335321 0.83 LPL (0.42) LPLLIPG
SCHEMBL12650430 0.81 CLK1 (0.34) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL483159 0.81 LPL (0.43) LPLLIPGIRAK4P2RX7
SCHEMBL14212260 0.79 LPL (0.44) LPLLIPG
SCHEMBL5781980 0.79 LPL (0.46) LPLLIPGP2RX7

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
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
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