SCHEMBL1789996

SCHEMBL1789996

CC(C)(C)c1ccc(C(OP(=O)(OC(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)OC(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.39
HDAC1 Q13547 1/20 0.38
TSHR P16473 2/20 0.38
GRIA4 P48058 2/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
ATM Q13315 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1789997 0.85 NR1H4 (0.41) NR1H4HDAC1TSHRGRIA4LMNA
SCHEMBL1789782 0.78 HDAC8 (0.40) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL14076363 0.71 PGK1 (0.69) NR1H4HDAC1LMNATYR
SCHEMBL9231019 0.69 LMNA (0.43) NR1H4HDAC1TSHRGRIA4LMNA
SCHEMBL1792175 0.68 TSHR (0.42) HDAC1TSHRLMNATYRCA1
SCHEMBL190945 0.68 TSHR (0.58) NR1H4HDAC1TSHRLMNATYR
SCHEMBL11050922 0.68 FDPS (0.48) NR1H4HDAC1TSHRLMNAATM
SCHEMBL1788086 0.68 MAPT (0.47) NR1H4LMNAMAPTALDH1A1NPC1
SCHEMBL11076623 0.68 PGK1 (0.53) NR1H4HDAC1TSHRLMNATYR
SCHEMBL292572 0.68 TSHR (0.52) NR1H4HDAC1TSHRGRIA4LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed