SCHEMBL23161024

SCHEMBL23161024

C=C(C(=O)OC(CCC)OCC)C(=O)OC(CCC)OCC

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL36880 0.87 ALDH1A1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23161035 0.84 TSHR (0.36) TSHR
SCHEMBL23161036 0.82 ALDH1A1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7545696 0.81 ALDH1A1 (0.51) TSHR
SCHEMBL23161039 0.81 TSHR (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1470150 0.79 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21803795 0.78 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3030080 0.78 TSHR (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11384726 0.78 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5484686 0.78 CHRM1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629262-B2 Liquid composition set, cured product forming method, and liquid composition RICOH COMPANY, LTD. (JP) 2023-04-18 US disclosed
US-20210102081-A1 LIQUID COMPOSITION SET, CURED PRODUCT FORMING METHOD, AND LIQUID COMPOSITION RICOH COMPANY, LTD. (JP) 2021-04-08 US disclosed