SCHEMBL244965

SCHEMBL244965

CC=CC(=O)OCCC1OCC1CC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 4/20 0.34
GSTP1 P09211 1/20 0.32
IARS1 P41252 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL246320 0.84 GSTP1 (0.33) ATMHCAR2GSTP1IARS1ALDH1A1
SCHEMBL27934787 0.79 ATM (0.37) ATMHCAR2GSTP1ALDH1A1
SCHEMBL28031569 0.78 GSTP1 (0.33) ATMHCAR2GSTP1ALDH1A1
SCHEMBL27886461 0.76 ALDH1A1 (0.49) ALDH1A1
SCHEMBL27845562 0.74 ATM (0.44) ATMHCAR2GSTP1ALDH1A1
SCHEMBL30977789 0.73 TSHR (0.44) ALDH1A1
SCHEMBL246725 0.73 ATM (0.35) ATMHCAR2GSTP1ALDH1A1
SCHEMBL15404657 0.73 TSHR (0.45) ATMHCAR2IARS1ALDH1A1
SCHEMBL28044349 0.72 ATM (0.39) ATMHCAR2GSTP1ALDH1A1
SCHEMBL11520362 0.71 ALDH1A1 (0.42) ATMHCAR2GSTP1IARS1ALDH1A1

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
US-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed