SCHEMBL1788403

SCHEMBL1788403

CC(C)(C)c1cccc(COC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACHE P22303 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TACR1 P25103 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MMP1 P03956 1/20 0.44
MMP12 P39900 1/20 0.44
NR4A2 P43354 3/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
MAOB P27338 2/20 0.43
CCR9 P51686 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL1788402 0.88 MRGPRX4 (0.48) MRGPRX4PRKCAPRKCDCYP1A2CYP2C19
SCHEMBL10005902 0.87 ALDH1A1 (0.58) MRGPRX4PRKCAPRKCDCYP1A2CYP2C19
SCHEMBL27346823 0.85 ALDH1A1 (0.56) MRGPRX4PRKCAPRKCDCYP1A2CYP2C19
SCHEMBL1787676 0.84 CYP1A2 (0.43) MRGPRX4CYP1A2CYP2C19ACHERXRA
SCHEMBL13165301 0.83 MRGPRX4 (0.44) MRGPRX4PRKCAPRKCDCYP1A2CYP2C19
SCHEMBL1789188 0.82 GABRA1 (0.45) ALDH1A1TACR1RXRARXRBNR4A2
SCHEMBL1788540 0.81 LMNA (0.46) MRGPRX4CYP1A2CYP2C19ACHEALDH1A1
SCHEMBL1788331 0.81 ALDH1A1 (0.48) PRKCAPRKCDALDH1A1
SCHEMBL1790322 0.79 PPARG (0.46) MRGPRX4CYP1A2CYP2C19HDAC8
SCHEMBL1788830 0.79 NR4A2 (0.57) ALDH1A1RXRARXRBNR4A2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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