SCHEMBL9857508

SCHEMBL9857508

CCOP(=O)(COCC(COC(C)=O)CON1C(=O)c2ccccc2C1=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9684455 0.87 POLB (0.38) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL9417135 0.76 GAA (0.62) GAAALDH1A1CYP1A2
SCHEMBL9857513 0.75 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1
SCHEMBL9858209 0.74 GAA (0.51) GAAALDH1A1
SCHEMBL9417242 0.73 POLB (0.41) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL14439985 0.72 GAA (0.54) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL8960392 0.69 GAA (0.46) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL6274022 0.69 ELANE (0.43) ALDH1A1
SCHEMBL15152327 0.68 SMN1; SMN2 (0.48) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL9858280 0.68 GAA (0.31) GAA

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-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP disclosed