SCHEMBL10180835

SCHEMBL10180835

CCC(C)(C)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CETP P11597 1/20 0.38
HTR1D P28221 4/20 0.38
HTR1A P08908 3/20 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
SCHEMBL10180540 0.87 NPC1 (0.39) NPC1RAB9APOLBCYP2C9DRD2
SCHEMBL26571369 0.86 NPC1 (0.43) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL10180418 0.84 NPC1 (0.44) NPC1RAB9APOLBCYP2C9DRD2
SCHEMBL10180101 0.84 NPC1 (0.44) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL2349455 0.84 ACHE (0.44) POLBCYP2C9DRD2DRD3DRD1
SCHEMBL10181935 0.82 SMN1; SMN2 (0.47) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL4376023 0.81 NPC1 (0.49) NPC1RAB9APOLBCYP2C9DRD2
SCHEMBL10179529 0.81 RAB9A (0.43) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL6938268 0.80 NR3C1 (0.48) POLBLMNAMAPK1L3MBTL1CA1
SCHEMBL10179893 0.80 KMT2A (0.58) NPC1RAB9APOLBCYP2C9LMNA

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