SCHEMBL23097543

SCHEMBL23097543

CCOC(=O)C1(C)CC(O)C(OC(C)(C)O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.30
HIF1A Q16665 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL14127653 0.73 BRD4 (0.40) BRD4LMNAMAPTF10
SCHEMBL14127656 0.73 BRD4 (0.40) BRD4LMNAMAPTF10
SCHEMBL14127655 0.73 BRD4 (0.40) BRD4LMNAMAPTF10
SCHEMBL25492059 0.73 BRD4 (0.35) BRD4LMNAMAPTHIF1AF10
SCHEMBL25492055 0.73 BRD4 (0.35) BRD4LMNAMAPTHIF1AF10
SCHEMBL25492024 0.73 BRD4 (0.35) BRD4LMNAMAPTHIF1AF10
SCHEMBL17444931 0.70 BRD4 (0.40) BRD4LMNAMAPTHIF1A
SCHEMBL16708924 0.70 ALDH1A1 (0.40) BRD4LMNAMAPTF10
SCHEMBL13640434 0.70 BRD4 (0.40) BRD4LMNAMAPTHIF1A
SCHEMBL25492021 0.69 BRD4 (0.39) BRD4LMNAMAPTHIF1AF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 EP disclosed