SCHEMBL1787920

SCHEMBL1787920

CC(C)(C)c1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.43
GRM2 Q14416 1/20 0.42
SOD1 P00441 1/20 0.42
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
SRC P12931 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 2/20 0.40
HCRTR1 O43613 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
POLB P06746 1/20 0.38
HTT P42858 1/20 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
SCHEMBL3396886 1.00 L3MBTL1 (0.45) L3MBTL1NPSR1MAPK1GAAGRM2
SCHEMBL1786941 0.95 SOD1 (0.45) L3MBTL1NPSR1MAPK1GAAGRM2
SCHEMBL3400425 0.86 SOD1 (0.42) L3MBTL1NPSR1MAPK1GAAGRM2
SCHEMBL1787386 0.86 SOD1 (0.42) L3MBTL1NPSR1MAPK1GAAGRM2
SCHEMBL317541 0.84 L3MBTL1 (0.50) L3MBTL1NPSR1GAACYP3A4TSHR
SCHEMBL190450 0.84 L3MBTL1 (0.50) L3MBTL1NPSR1GAACYP3A4TSHR
SCHEMBL27558363 0.83 CYP3A4 (0.40) CYP3A4
SCHEMBL21835965 0.83 CYP3A4 (0.41) L3MBTL1MAPK1GRM2SOD1CYP3A4
Phosphine SCHEMBL7868153 0.82 L3MBTL1 (0.49) L3MBTL1NPSR1GAACYP3A4TSHR
SCHEMBL24961778 0.82 L3MBTL1 (0.42) L3MBTL1NPSR1MAPK1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114705784-A Online detection method for organic phosphate in environmental water 中国科学院生态环境研究中心 2022-07-05 CN claimed
CN-114705784-A Online detection method for organic phosphate in environmental water 中国科学院生态环境研究中心 2022-07-05 CN disclosed
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
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-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 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
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed
US-4378320-A PVC PLASTICIZER STAUFFER CHEMICAL COMPANY (US) 1983-03-29 US disclosed
US-4378320-A PVC PLASTICIZER STAUFFER CHEMICAL COMPANY (US) 1983-03-29 US disclosed
US-4280945-A Vinyl chloride compositions plasticized with meta-tertiary-butylphenyl diphenyl phosphate STAUFFER CHEMICAL COMPANY (US) 1981-07-28 US disclosed
US-4280945-A Vinyl chloride compositions plasticized with meta-tertiary-butylphenyl diphenyl phosphate STAUFFER CHEMICAL COMPANY (US) 1981-07-28 US disclosed