SCHEMBL28140342

SCHEMBL28140342

CCCOC(C(=O)O)C(OC(O)(O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
PGD P52209 1/20 0.32
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

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
SCHEMBL3205514 0.85 HCAR2 (0.41) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13015783 0.74 HCAR2 (0.36) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL284645 0.73 ATM (0.46) HCAR2
SCHEMBL1196078 0.73 ATM (0.46) HCAR2
SCHEMBL1196777 0.73 ATM (0.46) HCAR2
SCHEMBL8081881 0.72 ALDH1A1 (0.36) HCAR2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3960625 0.71 HCAR2 (0.47) HCAR2
SCHEMBL453154 0.69 HCAR2 (0.48) HCAR2
SCHEMBL712622 0.69 HCAR2 (0.48) HCAR2
SCHEMBL8935618 0.69 HCAR2 (0.48) 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-106631779-A Polyol ester and application of same to processing of halogenated vinyl polymer 山东金昌树新材料科技有限公司 2017-05-10 CN disclosed