SCHEMBL10179537

SCHEMBL10179537

CC(C)(C)c1cccc(S(=O)(=O)C(F)(F)CF)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL10181254 0.86 LMNA (0.41) ACHECA1CA2MMP1MMP2
SCHEMBL10145039 0.83 ACHE (0.50) ACHECA1CA2MMP1MMP2
SCHEMBL10179513 0.80 ALDH1A1 (0.60) ACHECA1CA2CYP3A4CYP2C19
SCHEMBL10034524 0.79 ALDH1A1 (0.59) ACHECA1CA2MMP1MMP2
SCHEMBL10180374 0.77 LOXL2 (0.40) HDAC8HDAC3HDAC11HDAC6HDAC4
SCHEMBL10179562 0.76 KAT6A (0.38) CA1CA2HDAC8CYP3A4HDAC4
SCHEMBL26569860 0.75 ACHE (0.49) ACHECA1CA2MMP1MMP2
SCHEMBL10179540 0.75 CYP3A4 (0.50) ACHECA1CA2MMP1MMP2
SCHEMBL10180743 0.75 KAT6A (0.41) CA2
SCHEMBL5181504 0.75 LMNA (0.53) ACHECA1CA2MMP1MMP2

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