SCHEMBL10179898

SCHEMBL10179898

CCCCCc1cc(CCCCC)cc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.57
CA2 P00918 4/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
ENPP1 P22413 1/20 0.46
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
CA12 O43570 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL26624926 0.97 FUT7 (0.61) FUT7CA2CA1CA9ENPP1
SCHEMBL10179421 0.88 PPARA (0.49) FUT7CA2CA1CA9ENPP1
SCHEMBL10180544 0.87 CA2 (0.57) FUT7CA2CA1CA9GPR84
SCHEMBL10180587 0.87 ENPP1 (0.59) FUT7CA2ENPP1CNR2MEN1
SCHEMBL26625027 0.87 ENPP1 (0.55) FUT7CA2CA1CA9ENPP1
SCHEMBL17993333 0.82 ENPP1 (0.60) CA2ENPP1CNR2MEN1KMT2A
SCHEMBL10180646 0.79 HTT (0.51) CA2CA1CA9ENPP1CNR1
SCHEMBL5083041 0.78 MEN1 (0.58) CA2CA1CA9MEN1KMT2A
SCHEMBL10180287 0.77 CA2 (0.64) FUT7CA2CA1CA9GPR84
SCHEMBL10180551 0.77 CA2 (0.68) FUT7CA2CA1CA9CNR1

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