SCHEMBL6922962

SCHEMBL6922962

CCC=CC(=O)OCCOC(=O)CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 5/20 0.41
MAPT P10636 2/20 0.37
DGKA P23743 1/20 0.34
APP P05067 3/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL181611 0.86 ATM (0.45) ATMHCAR2MAPTDGKAAPP
SCHEMBL181412 0.83 ATM (0.47) ATMHCAR2MAPTDGKAAPP
SCHEMBL36040 0.82 TSHR (0.50) ATMHCAR2MAPTAPPRAB9A
SCHEMBL27137053 0.81 CHRM5 (0.50) ATMHCAR2MAPTRAB9ATSHR
SCHEMBL534938 0.80 ATM (0.47) ATMHCAR2MAPTAPPRAB9A
SCHEMBL6922280 0.80 ATM (0.42) ATMHCAR2MAPTDGKARAB9A
SCHEMBL691277 0.79 HCAR2 (0.63) ATMHCAR2MAPTAPPRAB9A
SCHEMBL9561910 0.79 HCAR2 (0.63) ATMHCAR2MAPTAPPRAB9A
SCHEMBL691276 0.79 HCAR2 (0.63) ATMHCAR2MAPTAPPRAB9A
SCHEMBL3390981 0.78 ALDH1A1 (0.52) ATMHCAR2MAPTAPPRAB9A

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
US-20040024152-A1 Gas hydrate formation inhibitor and method for inhibiting gas hydrate formation with the same MITSUBISHI RAYON CO., LTD. (JP) 2004-02-05 US disclosed
US-20030130454-A1 Process for producing amphipathic polymers MITSUBISHI RAYON CO., LTD. 2003-07-10 US disclosed