SCHEMBL15765735

SCHEMBL15765735

O=C(CC(=O)Oc1cccc(C(F)(F)F)c1)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
PPARG P37231 4/20 0.51
PPARA Q07869 1/20 0.51
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
FAAH O00519 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
XBP1 P17861 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CES2 O00748 1/20 0.49
ATM Q13315 1/20 0.48
NR4A2 P43354 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL15763956 0.92 LMNA (0.53) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL28327548 0.92 KDM4E (0.54) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL8538665 0.91 KDM4E (0.52) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL28651225 0.87 KDM4E (0.55) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL11097140 0.87 MAPT (0.52) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL1799848 0.87 ACHE (0.56) KDM4EMAPTLMNAPPARGPPARA
Butane SCHEMBL1043809 0.87 FAAH (0.53) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL27671575 0.84 SMN1; SMN2 (0.56) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL1995788 0.84 FAAH (0.53) KDM4EMAPTLMNAPPARGPPARA
SCHEMBL11860150 0.84 PRSS1 (0.55) KDM4EMAPTLMNAPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317200-A Pyrimidine compound and application thereof 东莞东阳光科研发有限公司 2019-10-11 CN disclosed
US-9236635-B2 Non-aqueous electrolyte and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2016-01-12 US disclosed
US-20140154587-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-06-05 US disclosed