SCHEMBL9937403

SCHEMBL9937403

COCCCOC(=O)CC(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NAAA Q02083 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGKA P23743 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
RAD52 P43351 1/20 0.31
HPGD P15428 1/20 0.30
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
SCHEMBL9936197 0.88 TSHR (0.38) ALDH1A1TSHRTDP1MAPTDGKA
SCHEMBL9935621 0.82 MMP1 (0.38) ALDH1A1NAAATSHRTDP1NPSR1
SCHEMBL9937021 0.81 ALDH1A1 (0.39) ALDH1A1NAAATSHRNPSR1MAPT
SCHEMBL2250072 0.77 NAAA (0.37) ALDH1A1NAAATSHRTDP1NPSR1
SCHEMBL24161250 0.77 NAAA (0.39) ALDH1A1NAAATSHRTDP1NPSR1
SCHEMBL9936926 0.77 ALDH1A1 (0.40) ALDH1A1NAAATSHRTDP1NPSR1
SCHEMBL9937040 0.77 ALDH1A1 (0.40) ALDH1A1TSHRRECQLKMT2ACYP3A4
SCHEMBL16917384 0.76 MGAM (0.46) ALDH1A1NAAATSHRTDP1RECQL
SCHEMBL27869299 0.76 ADRA2A (0.50) ALDH1A1NAAATSHRTDP1MAPT
SCHEMBL9936682 0.75 ALDH1A1 (0.39) ALDH1A1TSHRRECQLKMT2AHPGD

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