SCHEMBL1792177

SCHEMBL1792177

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
SRD5A2 P31213 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28203220 0.86 TSHR (0.43) HDAC1LMNAMAPTTSHRNPC1
SCHEMBL1955319 0.83 PTPN1 (0.47) HDAC1MAPTTSHRSMN1; SMN2POLB
SCHEMBL1792175 0.83 TSHR (0.42) HDAC1LMNATYRANPEPERAP2
SCHEMBL1789856 0.81 HDAC8 (0.44) ALDH1A1TDP1HDAC3HDAC8HDAC6
SCHEMBL6262303 0.78 CA1 (0.53) LMNAMAPTSMN1; SMN2POLBHTT
SCHEMBL4443601 0.77 ALDH1A1 (0.35) HDAC1LMNAMAPTSMN1; SMN2CA1
SCHEMBL4451524 0.77 ALDH1A1 (0.35) HDAC1LMNAMAPTSMN1; SMN2CA1
SCHEMBL4443731 0.77 ALDH1A1 (0.35) HDAC1LMNAMAPTSMN1; SMN2CA1
SCHEMBL284462 0.75 SRC (0.54) HDAC1LMNATYRMAPTSMN1; SMN2
SCHEMBL28934778 0.73 SRC (0.52) HDAC1LMNATYRMAPTSMN1; 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 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