SCHEMBL1792175

SCHEMBL1792175

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HDAC1 Q13547 1/20 0.42
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
SRD5A2 P31213 1/20 0.36
HTT P42858 1/20 0.36
KIF11 P52732 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
SCHEMBL1792177 0.83 HDAC1 (0.44) TSHRHDAC1LMNATYRCA1
SCHEMBL3138872 0.82 MAPK1 (0.44) TSHRHDAC1MAPTALDH1A1MAPK1
SCHEMBL1789853 0.79 HDAC8 (0.43) ALDH1A1NPC1RAB9AKIF11
SCHEMBL6262302 0.77 CA1 (0.45) LMNACA1CA2CA9MAPT
SCHEMBL21777079 0.74 CA1 (0.46) TSHRHDAC1LMNATYRCA1
SCHEMBL190945 0.73 TSHR (0.58) TSHRHDAC1LMNATYRCA1
SCHEMBL4624141 0.71 TSHR (0.56) TSHRHDAC1LMNATYRCA1
SCHEMBL424728 0.71 TSHR (0.73) TSHRHDAC1LMNATYRCA1
SCHEMBL1788390 0.70 ALDH1A1 (0.40) TSHRCA2ALDH1A1KIF11CYP1A2
SCHEMBL3129845 0.69 TSHR (0.48) TSHRHDAC1LMNATYRCA1

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