SCHEMBL9858209

SCHEMBL9858209

CCOP(=O)(COCCCON1C(=O)c2ccccc2C1=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9417135 0.92 GAA (0.62) GAARECQLTDP1ALDH1A1
SCHEMBL9857509 0.86 RECQL (0.48) GAARECQLTDP1ALDH1A1
SCHEMBL10439345 0.85 RECQL (0.52) GAARECQLTDP1ALDH1A1
SCHEMBL9684315 0.85 GAA (0.51) GAARECQLTDP1ALDH1A1
SCHEMBL9683399 0.84 GAA (0.50) GAARECQLTDP1ALDH1A1
SCHEMBL10439191 0.83 RECQL (0.49) GAARECQLTDP1ALDH1A1
SCHEMBL14439985 0.82 GAA (0.54) GAARECQLTDP1ALDH1A1
SCHEMBL10497028 0.78 GAA (0.57) GAARECQLTDP1ALDH1A1
SCHEMBL6570943 0.78 GAA (0.74) GAARECQLTDP1ALDH1A1
SCHEMBL3431305 0.77 RECQL (0.69) GAARECQLTDP1ALDH1A1

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