SCHEMBL31297039

SCHEMBL31297039

CC(C)=CCCC1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.51
▸ ALOX5 P09917 14/20 0.43
▸ CTSL P07711 1/20 0.41
▸ NR1I2 O75469 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL17549834 0.78 CTSK (0.52) CTSKALOX5
SCHEMBL27874620 0.78 CTSK (0.52) CTSKALOX5
SCHEMBL31297041 0.78 CTSK (0.52) CTSKALOX5
SCHEMBL30457085 0.74 CTSK (0.49) CTSK
SCHEMBL20911579 0.68 ALOX5 (0.46) ALOX5NR1I2PPARGPPARA
SCHEMBL30448394 0.68 CTSK (1.00) CTSKALOX5CTSLPPARGPPARA
Hydroquinone SCHEMBL116980 0.67 ALOX5 (0.77) ALOX5NR1I2PPARGPPARA
SCHEMBL6837090 0.66 AKT1 (0.62) ALOX5NR1I2PPARGPPARA
SCHEMBL17536185 0.66 BCHE (0.40) CTSKALOX5
SCHEMBL17536186 0.66 BCHE (0.40) CTSKALOX5

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-119074703-A Application of chalcone compounds in preparation of anti-ischemic cerebral apoplexy drugs 暨南大学 2024-12-06 — — CN disclosed
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