SCHEMBL6535693

SCHEMBL6535693

CC(O)CC(CO)[C](O)CCCO

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
CAMK2A Q9UQM7 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
SCHEMBL6437149 0.72
1,3-Propanediol SCHEMBL3727717 0.69 TDP1 (0.47) TDP1
SCHEMBL6433672 0.67 OR51E2 (0.39) CAMK2A
1,5-Pentanediol SCHEMBL1068221 0.66 TSHR (0.45) TDP1
1,4-Butanediol SCHEMBL28655257 0.66 TDP1 (0.71) TDP1
Propylene Glycol SCHEMBL28804501 0.66 TDP1 (0.71) TDP1
1,4-Butanediol SCHEMBL531424 0.66 TDP1 (0.71) TDP1
Propylene Glycol SCHEMBL5181288 0.66 TDP1 (0.71) TDP1
Propylene Glycol SCHEMBL1121840 0.66 TDP1 (0.71) TDP1
1,4-Butanediol SCHEMBL27302584 0.66 TDP1 (0.71) TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272176-A4 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-29 EP disclosed
EP-1272176-A1 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS Galderma Research & Development, S.N.C. (FR) 2003-01-08 EP disclosed
WO-2001056563-A1 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-08-09 WO disclosed