SCHEMBL29137677

SCHEMBL29137677

CCCC(O)C(C)=O.CCCC(O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 1/20 0.41
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL109114 1.00
SCHEMBL7939021 1.00
SCHEMBL7937569 1.00
SCHEMBL17378384 0.84 TET2 (0.35) TDP1GPR84FFAR1ALDH1A1
SCHEMBL105176 0.83
SCHEMBL18610931 0.83
SCHEMBL7595851 0.83
SCHEMBL1784083 0.83 TSHR (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1785261 0.81 GPR84 (0.64) NFKB1GPR84FFAR1
SCHEMBL9059036 0.81 GPR84 (0.64) NFKB1GPR84FFAR1

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-117378608-A Attractant for plaque Guo Gong insects 安徽农业大学 2024-01-12 CN disclosed