SCHEMBL10179567

SCHEMBL10179567

O=S(=O)(Cc1ccccc1)c1ccccc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
PTGS2 P35354 1/20 0.42
HTR6 P50406 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 5/20 0.40

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
SCHEMBL10181659 0.98 TSHR (0.50) TSHRSMN1; SMN2HPGDHSD17B10USP2
SCHEMBL10179841 0.83 PTGS2 (0.48) HPGDHSD17B10USP2PTGDR2PTGS2
SCHEMBL10179872 0.81 PTGS2 (0.45) USP2PTGDR2PTGS2HTR6ALDH1A1
SCHEMBL10180538 0.79 PTGS2 (0.49) TSHRPTGDR2PTGS2ALDH1A1CYP3A4
SCHEMBL10180451 0.78 PTGS2 (0.43) PTGDR2PTGS2
SCHEMBL10179863 0.78 ALDH1A1 (0.41) PTGDR2PTGS2ALDH1A1KDM4ELMNA
SCHEMBL10179999 0.77 HSD11B1 (0.48) PTGDR2PTGS2HTR6CA1CA2
SCHEMBL10179449 0.77 HSD11B1 (0.52) PTGDR2PTGS2HTR6ALDH1A1KDM4E
SCHEMBL10179715 0.76 HSD17B10 (0.51) TSHRSMN1; SMN2HPGDHSD17B10USP2
SCHEMBL10181236 0.76 HSD11B1 (0.43) USP2PTGDR2PTGS2CYP1A2CYP2D6

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