SCHEMBL11276451

SCHEMBL11276451

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 2/20 0.37
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL4622681 0.98 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL6837511 0.86 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL28556735 0.85 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL28564448 0.83 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL29438274 0.81 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL182320 0.81 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL29142606 0.80 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL644901 0.80 MGAM (0.54) MGAMGAASIMGAM2TSHR
SCHEMBL20477581 0.79 MGAM (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL20477578 0.79 MGAM (0.52) MGAMGAASIMGAM2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292414-A Cation-curable composition and method for producing cured product 迪睿合株式会社 2021-01-29 CN disclosed
US-4352800-A ANTIBIOTICS, BLOOD KYOTO YAKUHIN KYOGO KABUSHIKI KAISHA (JP) 1982-10-05 US disclosed
US-4277465-A ENAMINE DERIVATIVE KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1981-07-07 US disclosed
EP-0009609-A2 Adjuvant for promoting absorption of therapeutically active substances through the digestive tract, pharmaceutical composition comprising said adjuvant and process for preparing said pharmaceutical composition; enamine derivatives KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1980-04-16 EP disclosed