SCHEMBL31538077

SCHEMBL31538077

CCC/C=C\C/C=C\C/C=C/CCCCCC(CCC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ AKR1A1 P14550 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ F7 P08709 6/20 0.50
▸ F3 P13726 6/20 0.50
▸ PPARG P37231 6/20 0.50
▸ PPARD Q03181 5/20 0.50
▸ PPARA Q07869 5/20 0.50
▸ FFAR1 O14842 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50

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
SCHEMBL14656687 0.94 ALDH1A1 (0.58) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3224671 0.92 ALDH1A1 (0.57) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16718941 0.92 ALDH1A1 (0.57) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3221982 0.92 ALDH1A1 (0.57) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16718940 0.92 ALDH1A1 (0.57) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3205252 0.90 ALDH1A1 (0.54) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18350212 0.90 ALDH1A1 (0.62) TDP1ALDH1A1F7F3PPARG
SCHEMBL14931806 0.90 ALDH1A1 (0.62) TDP1ALDH1A1F7F3PPARG
SCHEMBL7031627 0.90 ALDH1A1 (0.62) TDP1ALDH1A1F7F3PPARG
SCHEMBL17967767 0.90 ALDH1A1 (0.62) TDP1ALDH1A1F7F3PPARG

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-119866889-A Method for producing fragrant style tobacco leaves 福建中烟工业有限责任公司 2025-04-25 — — CN disclosed
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