SCHEMBL9937636

SCHEMBL9937636

COCCCOC(=O)CCF

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
NAAA Q02083 1/20 0.36
CYP1A2 P05177 1/20 0.36
DNM1 Q05193 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL9937166 0.87 DGKA (0.43) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL27869299 0.87 ADRA2A (0.50) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL10918414 0.85 DGKA (0.56) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL9936926 0.83 ALDH1A1 (0.40) ALDH1A1DGKATSHRNAAARECQL
SCHEMBL28156674 0.81 DGKA (0.57) ALDH1A1DGKAHTR2CTSHRMAPT
SCHEMBL2249146 0.81 DGKA (0.52) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL13343463 0.80 ALDH1A1 (0.58) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL9937129 0.80 DGKA (0.42) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL14296732 0.79 ADRA2A (0.43) ALDH1A1DGKAHTR2CADRA2AADRA1A
SCHEMBL18666547 0.79 ALDH1A1 (0.57) ALDH1A1DGKAHTR2CADRA2AADRA1A

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
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed