SCHEMBL10179913

SCHEMBL10179913

C=CS(=O)(=O)c1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
HSD11B1 P28845 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
PSIP1 O75475 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL10179784 0.87 CA12 (0.37) CTSBHSD11B1LOXL2PSIP1NPC1
SCHEMBL10179905 0.84 THRA (0.41) CTSBCA12CA9
SCHEMBL10180344 0.82 GABRA1 (0.40) CTSBGABRA1GABRB2ALDH1A1LMNA
SCHEMBL11230254 0.81 THRA (0.49) MAPTHSD17B10
SCHEMBL10860884 0.80 TSHR (0.43) NPC1ALDH1A1LMNATP53MAPT
SCHEMBL5412466 0.77 ALDH1A1 (0.47) CTSBHSD11B1LOXL2GABRA1GABRB2
SCHEMBL29394818 0.77 CTSB (0.52) CTSBHSD11B1LOXL2GABRA1GABRB2
SCHEMBL34582 0.77 CTSB (0.52) CTSBHSD11B1LOXL2GABRA1GABRB2
SCHEMBL780568 0.76 CTSB (0.55) CTSBHSD11B1LOXL2GABRA1GABRB2
SCHEMBL11331159 0.76 ALDH1A1 (0.37) NPC1ALDH1A1LMNATP53MAPT

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 5 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
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed