SCHEMBL10179939

SCHEMBL10179939

O=S(=O)(c1ccccc1)c1cccc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DRD2 P14416 4/20 0.47
HTR6 P50406 5/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL10180085 0.98 KMO (0.50) KMOALDH1A1LMNATHRBTSHR
SCHEMBL10179611 0.95 KMO (0.53) KMOALDH1A1LMNATHRBTSHR
SCHEMBL10181962 0.93 HDAC4 (0.51) KMOALDH1A1LMNATHRBTSHR
SCHEMBL8306482 0.84 LMNA (0.60) ALDH1A1LMNATSHRNPSR1HTR6
SCHEMBL10182152 0.82 LMNA (0.57) ALDH1A1LMNATSHRNPSR1HTR6
SCHEMBL31518340 0.81 KMO (0.50) KMOALDH1A1LMNADRD2HDAC4
SCHEMBL30755238 0.81 CA1 (0.53) KMOLMNADRD2HDAC4HDAC2
SCHEMBL11800395 0.81 KMO (0.54) KMOALDH1A1LMNATSHRDRD2
SCHEMBL10180278 0.81 DRD2 (0.61) KMOALDH1A1LMNADRD2HTR6
SCHEMBL27371461 0.81 CA1 (0.53) KMOLMNADRD2HDAC4HDAC2

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