SCHEMBL31756901

SCHEMBL31756901

C=C(C)CCC(CCC(=C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FOLH1 Q04609 15/20 0.46
GRM3 Q14832 2/20 0.39
NAALAD2 Q9Y3Q0 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
SCHEMBL9816520 0.91 CHRM1 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816501 0.89 SLC1A3 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816375 0.89 CA2 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816622 0.88 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816444 0.86 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816352 0.85 SLC1A3 (0.47) FOLH1
SCHEMBL24538476 0.84 FOLH1 (0.47) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816519 0.84 GRIK1 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10882144 0.84 GRIK1 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9816450 0.84 GRIK1 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-121263396-A Process for the preparation of citral and related products 巴斯夫欧洲公司 2026-01-02 CN disclosed