SCHEMBL10179529

SCHEMBL10179529

CCCS(=O)(=O)Oc1cccc(C(C)(C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
MMP7 P09237 1/20 0.37
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL10180101 0.89 NPC1 (0.44) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL27801587 0.84 L3MBTL1 (0.46) POLBCYP2C9LMNAALDH1A1KMT2A
SCHEMBL10180418 0.83 NPC1 (0.44) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL26571369 0.82 NPC1 (0.43) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL10179893 0.82 KMT2A (0.58) RAB9ANPC1POLBCYP2C9LMNA
SCHEMBL10179901 0.82 NPC1 (0.38) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL10180126 0.81 NPC1 (0.51) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL10181935 0.81 SMN1; SMN2 (0.47) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL10180835 0.81 NPC1 (0.44) RAB9ANPC1POLBCYP2C9CA2
SCHEMBL10180698 0.79 ALDH1A1 (0.46) CA2CA12LMNAMAPK1SMN1; 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