SCHEMBL10179979

SCHEMBL10179979

CCC(C)(C)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD11B1 P28845 1/20 0.46
HSD17B3 P37058 1/20 0.46
MAPT P10636 2/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTR6 P50406 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSIP1 O75475 1/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10179507 0.90 LMNA (0.49) ALDH1A1HSD11B1HSD17B3MAPTKMT2A
SCHEMBL2986382 0.83 HSD11B1 (0.54) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL6242213 0.83 ALDH1A1 (0.53) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL10180520 0.82 SMN1; SMN2 (0.36) ALDH1A1HSD11B1HSD17B3L3MBTL1SMN1; SMN2
SCHEMBL10180560 0.82 MAPK1 (0.36) ALDH1A1HSD11B1HSD17B3L3MBTL1SMN1; SMN2
SCHEMBL10179774 0.81 DRD2 (0.43)
SCHEMBL10181361 0.81 NPSR1 (0.34) ALDH1A1HSD11B1HSD17B3L3MBTL1SMN1; SMN2
SCHEMBL1821230 0.79 MAPT (0.42) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL10180575 0.79 KMT2A (0.50) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL10180931 0.78 NPC1 (0.34) SMN1; SMN2NPC1RAB9AHTR6LMNA

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