SCHEMBL28282181

SCHEMBL28282181

CC=CC(=O)OC(CCC)OC(=O)C=CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
GSTP1 P09211 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32

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
SCHEMBL28283798 0.88 SMPD1 (0.43) HCAR2ATMLMNACA1
SCHEMBL8627562 0.86 HCAR2 (0.32) HCAR2GSTP1TAS1R3TAS1R1
SCHEMBL27515974 0.82 HCAR2 (0.36) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9068912 0.82 HCAR2 (0.36) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4613185 0.82 HCAR2 (0.32) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4613181 0.82 HCAR2 (0.32) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27938679 0.80 PRKCA (0.41) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5831229 0.79 HCAR2 (0.42) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL317284 0.79 GABRR1 (0.39) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1070214 0.78 HCAR2 (0.36) HCAR2

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-109643662-A Chip bonds cream and semiconductor device 住友电木株式会社 2019-04-16 CN disclosed