SCHEMBL9684455

SCHEMBL9684455

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 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
GAA P10253 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
SCHEMBL9857508 0.87 POLB (0.38) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL9684136 0.80 POLB (0.34) POLBSMN1; SMN2MAPTGAA
SCHEMBL8839568 0.79 PPARD (0.46) ALDH1A1CYP2C9MAPTMAPK1
SCHEMBL14439985 0.77 GAA (0.54) ALDH1A1CYP1A2CYP2C9GAA
SCHEMBL9685456 0.73 PPARD (0.40) ALDH1A1CYP2C9MAPTMAPK1
SCHEMBL9685475 0.73 PPARD (0.46) ALDH1A1MAPTMAPK1
SCHEMBL9684315 0.72 GAA (0.51) ALDH1A1GAA
SCHEMBL9625162 0.71 ALDH1A1 (0.46) POLBALDH1A1MAPTMAPK1
SCHEMBL9683399 0.71 GAA (0.50) ALDH1A1GAA
SCHEMBL9417242 0.70 POLB (0.41) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9

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-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed