SCHEMBL10179994

SCHEMBL10179994

C=CCOS(=O)(=O)c1ccccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
PTGS2 P35354 1/20 0.39
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HTR6 P50406 4/20 0.33
PRCP P42785 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
NAAA Q02083 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL10179863 0.79 ALDH1A1 (0.41) PTGDR2PTGS2ATMTDP1MEN1
SCHEMBL27597413 0.79 CYP3A4 (0.41) ATMTDP1MEN1KMT2ACA1
SCHEMBL10180795 0.78 ALDH1A1 (0.42) PTGDR2PTGS2ATMTDP1MEN1
SCHEMBL10179712 0.77 PTGS2 (0.43) PTGDR2PTGS2ATMTDP1MAPT
SCHEMBL27847179 0.77 PTGS2 (0.47) PTGDR2PTGS2MEN1KMT2AHTR6
SCHEMBL27847188 0.76 PTGS2 (0.42) PTGDR2PTGS2MAPTHTR6HSD11B1
SCHEMBL10181938 0.75 PTGS2 (0.41) PTGDR2PTGS2ATMTDP1MAPT
SCHEMBL10180538 0.74 PTGS2 (0.49) PTGDR2PTGS2MAPTHSD11B1PTGES2
SCHEMBL3915442 0.74 GABRA1 (0.36) ATMTDP1
SCHEMBL28146133 0.74 HSD11B1 (0.42) PTGS2MEN1KMT2AHTR6HSD11B1

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
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed