SCHEMBL28966306

SCHEMBL28966306

C[C](C)CC(=O)OCc1oc(=O)oc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.36
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL4479703 0.87 FOLH1 (0.38) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL20118646 0.83 FOLH1 (0.34) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL10156632 0.83 ALDH1A1 (0.37) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL24326019 0.82 FOLH1 (0.33) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL31161082 0.81 TRPA1 (0.44) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL21791312 0.81 ELANE (0.37) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL15413215 0.80 FOLH1 (0.36) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL22336901 0.80 FOLH1 (0.33) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL10193622 0.80 ALDH1A1 (0.36) FOLH1CHRM1TBXA2RADRA1AHTR7
SCHEMBL15413216 0.79 FOLH1 (0.38) FOLH1CHRM1TBXA2RADRA1AHTR7

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-115605493-A Prodrugs of4'-C-substituted-2-halo-2' -deoxyadenosine nucleosides and methods of making and using the same 吉利德科学公司(US) 2023-01-13 — — CN disclosed
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