SCHEMBL10180368

SCHEMBL10180368

CCc1ccccc1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAAR1 Q96RJ0 1/20 0.51
CTSB P07858 1/20 0.50
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
FAAH O00519 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
PRSS3 P35030 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10180047 0.87 TSHR (0.51) TSHRSMN1; SMN2TAAR1CTSBALDH1A1
SCHEMBL12004593 0.84 TSHR (0.49) TSHRSMN1; SMN2TAAR1ALDH1A1POLB
SCHEMBL10180701 0.82 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL19336575 0.82 CCR2 (0.48) TSHRSMN1; SMN2TAAR1CTSBALDH1A1
SCHEMBL10179924 0.81 CTSB (0.53) TAAR1CTSBPOLBKMT2ALOXL2
SCHEMBL4256900 0.79 PLCG1 (0.54) SMN1; SMN2TAAR1CTSBALDH1A1POLB
SCHEMBL13268412 0.78 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL1911882 0.78 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1POLBKDM4E
Ethylbenzene SCHEMBL10425236 0.76 TP53 (0.52) TSHRSMN1; SMN2TAAR1CTSBALDH1A1
SCHEMBL28539386 0.76 MMP2 (0.49) TAAR1CTSBPOLBCA1CA2

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