SCHEMBL31529974

SCHEMBL31529974

CC1(C)C2CCC1(C)C1(O)CCCCCCCCCC21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 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
SCHEMBL7248963 0.70 ALDH1A1 (0.33) ALDH1A1L3MBTL1MAPT
SCHEMBL7645700 0.64
SCHEMBL8385585 0.64
SCHEMBL12918661 0.64 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPT
SCHEMBL11151810 0.63 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPT
SCHEMBL29608920 0.63 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL3708712 0.62 MAPT (0.39) ALDH1A1L3MBTL1MAPT
SCHEMBL155552 0.62 MAPT (0.39) ALDH1A1L3MBTL1MAPT
SCHEMBL3711847 0.62 MAPT (0.39) ALDH1A1L3MBTL1MAPT
SCHEMBL11419691 0.61 MAPT (0.33) MAPT

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-119970891-A Joint-soothing and activating collateral-dredging dressing agent and preparation method and application thereof 广东省中医院海南医院 2025-05-13 CN disclosed