SCHEMBL10179841

SCHEMBL10179841

CCS(=O)(=O)c1ccccc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42
HSD11B1 P28845 1/20 0.40
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
PSIP1 O75475 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
RORC P51449 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSB P07858 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL10179872 0.98 PTGS2 (0.45) PTGS2PTGDR2HSD11B1HTR1DHTR1B
SCHEMBL10179567 0.83 TSHR (0.49) PTGS2PTGDR2USP2HPGDHSD17B10
SCHEMBL10192344 0.82 PTGS2 (0.58) PTGS2PTGDR2HSD11B1PTGES2KDM4E
SCHEMBL10180538 0.82 PTGS2 (0.49) PTGS2PTGDR2HSD11B1PTGES2ALDH1A1
SCHEMBL10181659 0.81 TSHR (0.50) PTGS2PTGDR2USP2HPGDHSD17B10
SCHEMBL10180451 0.81 PTGS2 (0.43) PTGS2PTGDR2HSD11B1PTGES2PTPRC
SCHEMBL10179863 0.81 ALDH1A1 (0.41) PTGS2PTGDR2HSD11B1PTGES2KDM4E
SCHEMBL10180103 0.80 PTGS2 (0.55) PTGS2PTGDR2HSD11B1ALDH1A1
SCHEMBL10179999 0.80 HSD11B1 (0.48) PTGS2PTGDR2HSD11B1PTGES2MEN1
SCHEMBL10181236 0.79 HSD11B1 (0.43) PTGS2PTGDR2HSD11B1USP2PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed