SCHEMBL10180460

SCHEMBL10180460

CC(C)(C)c1cccc(S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
DAO P14920 1/20 0.42
HTR6 P50406 1/20 0.42
CYP2D6 P10635 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 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
SCHEMBL10180926 0.86 LMNA (0.44) TSHRHSD17B10POLBMAPTALDH1A1
SCHEMBL10179776 0.81 TSHR (0.57) TSHRHSD17B10MAPTALDH1A1RAB9A
SCHEMBL10179763 0.81 PSIP1 (0.52) POLBMAPTALDH1A1RAB9ANPC1
SCHEMBL10181269 0.78 LOXL2 (0.49) TSHRHSD17B10MAPTALDH1A1RAB9A
SCHEMBL10181725 0.78 HTR6 (0.54) TSHRPOLBMAPTALDH1A1RAB9A
SCHEMBL18649028 0.77 KEAP1 (0.63) ALDH1A1RAB9AHDAC8HDAC6SMN1; SMN2
Benzylsulfonylbenzene SCHEMBL780337 0.76 TSHR (0.68) TSHRHSD17B10MAPTALDH1A1DAO
SCHEMBL10179540 0.75 CYP3A4 (0.50) POLBALDH1A1RAB9ANPC1RECQL
SCHEMBL20752339 0.75 POLB (0.59) POLBRECQLCYP2D6CYP3A4CYP2C9
SCHEMBL10180777 0.75 KAT6A (0.50) TSHRHSD17B10MAPTDAOHTR6

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