SCHEMBL28044348

SCHEMBL28044348

CC=CC(=O)OCC1CC(COC(=O)C=CC)CC(COC(=O)C=CC)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.39
HCAR2 Q8TDS4 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 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
SCHEMBL13536532 0.86 GSTP1 (0.37) GSTP1LMNAALDH1A1
SCHEMBL28044274 0.82 LMNA (0.47) GSTP1LMNASMN1; SMN2
SCHEMBL426099 0.82 GSTP1 (0.36) GSTP1HCAR2ATMALDH1A1
SCHEMBL28044349 0.80 ATM (0.39) GSTP1HCAR2ATMLMNAALDH1A1
SCHEMBL21110514 0.79 GSTP1 (0.36) GSTP1HCAR2ATM
SCHEMBL29384631 0.76 MGLL (0.50) GSTP1ALDH1A1
SCHEMBL157948 0.76 MGLL (0.50) GSTP1ALDH1A1
SCHEMBL157947 0.76 MGLL (0.50) GSTP1ALDH1A1
SCHEMBL28822316 0.76 GSTP1 (0.35) GSTP1ALDH1A1
SCHEMBL11325817 0.76 GSTP1 (0.38) GSTP1LMNAALDH1A1HTTSMN1; SMN2

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
CN-104023976-B Duplexer and uses thereof THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO.,LTD. (JP) 2015-11-25 CN disclosed