SCHEMBL9204101

SCHEMBL9204101

CCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C(OC(=O)CCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
PRKACA P17612 1/20 0.42

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
SCHEMBL5356888 0.87 PRKACA (0.56) PRKACAEHMT1AHCYRXFP1
SCHEMBL8752312 0.87 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22875410 0.85 EGFR (0.51) EGFRERBB2PRKACAEHMT1AHCY
SCHEMBL22875450 0.85 EGFR (0.51) EGFRERBB2PRKACAEHMT1AHCY
SCHEMBL22875787 0.83 EHMT1 (0.60) PRKACAEHMT1AHCYRXFP1
SCHEMBL22875576 0.83 EHMT1 (0.60) PRKACAEHMT1AHCYRXFP1
SCHEMBL9851707 0.83 AHCY (0.40) AHCY
SCHEMBL9851801 0.83 AHCY (0.40) AHCY
SCHEMBL9851710 0.83 AHCY (0.40) AHCY
SCHEMBL9851735 0.83 AHCY (0.40) AHCY

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
JP-7109290-A None JP disclosed
JP-H07109290-A NOVEL NUCLEOSIDE DERIVATIVE NIPPON OIL & FATS CO LTD 1995-04-25 JP disclosed