SCHEMBL10180587

SCHEMBL10180587

CCCCCc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.59
CA2 P00918 2/20 0.54
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.48
HIF1A Q16665 1/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALPL P05186 2/20 0.45
FUT7 Q11130 1/20 0.44
THRB P10828 1/20 0.44
ALPI P09923 1/20 0.44

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
SCHEMBL17993333 0.95 ENPP1 (0.60) ENPP1CA2LMNACYP2D6CYP2C9
SCHEMBL26624926 0.87 FUT7 (0.61) ENPP1CA2LMNACYP2D6CYP2C9
SCHEMBL10179898 0.87 FUT7 (0.57) ENPP1CA2LMNACYP2D6CYP2C9
SCHEMBL10180729 0.87 TDP1 (0.53) ENPP1CA2SMN1; SMN2THRBSTS
SCHEMBL11567445 0.86 TDP1 (0.53) ENPP1CA2LMNACYP2D6CYP2C9
SCHEMBL13649253 0.84 ENPP1 (0.52) ENPP1CA2LMNAHTTSMN1; SMN2
SCHEMBL27641648 0.84 CA2 (0.53) ENPP1CA2KCNH2CNR2SMN1; SMN2
SCHEMBL10179421 0.83 PPARA (0.49) ENPP1CA2LMNACNR2PPARG
SCHEMBL9457773 0.83 ENPP1 (0.51) ENPP1CA2LMNAHTTSMN1; SMN2
SCHEMBL15468472 0.83 ENPP1 (0.55) ENPP1CA2LMNAHTTSMN1; SMN2

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