SCHEMBL9937129

SCHEMBL9937129

CCOCCCOC(=O)CCF

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR2C P28335 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NAAA Q02083 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
THRB P10828 2/20 0.36
DNM1 Q05193 1/20 0.36
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
EPHX2 P34913 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL9937256 0.88 ALDH1A1 (0.54) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL2254577 0.84 DGKA (0.50) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL9937648 0.84 ALDH1A1 (0.43) DGKAHTR2CTSHRALDH1A1NAAA
SCHEMBL29414407 0.84 HTR2C (0.52) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL28627618 0.82 DGKA (0.59) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL28156674 0.82 DGKA (0.57) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL22621318 0.81 CYP1A2 (0.52) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL11773852 0.80 NAAA (0.50) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL9937636 0.80 ALDH1A1 (0.42) DGKACYP1A2HTR2CTSHRALDH1A1
SCHEMBL445680 0.79 NAAA (0.59) DGKATSHRALDH1A1NAAATHRB

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