SCHEMBL1787512

SCHEMBL1787512

O=C(O)OCc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.67
NR4A2 P43354 2/20 0.58
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
KDM4E B2RXH2 3/20 0.54
GAA P10253 1/20 0.54
STAT1 P42224 1/20 0.54
RAB9A P51151 1/20 0.54
MAOB P27338 5/20 0.53
PARP10 Q53GL7 1/20 0.53
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL1787511 0.87 HCAR2 (0.64) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL28707037 0.87 HCAR2 (0.64) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL28707039 0.86 HCAR2 (0.63) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL13034121 0.84 ALDH1A1 (0.61) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL5049642 0.84 HCAR2 (0.60) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL6901937 0.84 HCAR2 (0.60) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL29747227 0.84 HCAR2 (0.60) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL3764644 0.84 ALDH1A1 (0.61) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL28117924 0.83 KMT2A (0.69) HCAR2NR4A2MMP1MMP2MMP9
SCHEMBL5336730 0.81 KDM4E (0.67) HCAR2NR4A2MMP1MMP2MMP9

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