SCHEMBL10180220

SCHEMBL10180220

C=CCS(=O)(=O)c1cccc(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
KAT6A Q92794 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CA2 P00918 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CA5A P35218 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10180446 0.88 HDAC4 (0.45) PNMTALDH1A1CA2KDM4EHDAC4
SCHEMBL10179501 0.81 PSIP1 (0.52) KAT6AALDH1A1CA2KDM4EHDAC4
SCHEMBL10181443 0.80 ALDH1A1 (0.42) PNMTALDH1A1CA2KDM4EMAPT
SCHEMBL10180310 0.78 PNMT (0.39) PNMTALDH1A1CA2KDM4EMAPT
SCHEMBL17618327 0.78 KAT6A (0.41) KAT6AALDH1A1CA2KDM4EHDAC4
SCHEMBL10181499 0.78 KAT6A (0.41) KAT6AALDH1A1CA2KDM4EHDAC4
SCHEMBL21470932 0.77 KAT6A (0.40) KAT6AALDH1A1CA2KDM4EHDAC4
SCHEMBL21471341 0.75 KAT6A (0.44) KAT6AALDH1A1CA2KDM4EHDAC4
SCHEMBL19365223 0.75 CA2 (0.40) KAT6AALDH1A1CA2KDM4EHDAC4
SCHEMBL19365225 0.75 CA2 (0.40) KAT6AALDH1A1CA2KDM4EHDAC4

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