SCHEMBL10179784

SCHEMBL10179784

C=CS(=O)(=O)c1ccccc1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
METAP2 P50579 1/20 0.37
CTSB P07858 1/20 0.37
THRB P10828 2/20 0.34
THRA P10827 1/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSIP1 O75475 1/20 0.31

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
SCHEMBL10179905 0.90 THRA (0.41) CA12CA9CTSBTHRBTHRA
SCHEMBL10179913 0.87 CTSB (0.47) CA12CA9CTSBNPC1ALDH1A1
SCHEMBL11230254 0.87 THRA (0.49) THRBTHRAMAPTHSD17B10RECQL
SCHEMBL150860 0.79 MYC (0.46) CA12CA9METAP2CTSBLMNA
SCHEMBL31319091 0.79 MYC (0.46) CA12CA9METAP2CTSBLMNA
SCHEMBL10180094 0.79 ALDH1A1 (0.44) CA12CA9METAP2CTSBTHRB
SCHEMBL11889488 0.79 CTSB (0.42) CA12CA9METAP2CTSBPSIP1
Ammonia Solution, Strong SCHEMBL23749202 0.78 MYC (0.44) CA12CA9METAP2CTSBLMNA
SCHEMBL28822435 0.78 MYC (0.44) CA12CA9METAP2CTSBLMNA
SCHEMBL27680075 0.78 MYC (0.44) CA12CA9METAP2CTSBLMNA

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