SCHEMBL779346

SCHEMBL779346

Cc1cc(-c2ccccc2F)c(C(=O)P(=O)(O)O)c(-c2ccccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
PPIA P62937 1/20 0.36
DHODH Q02127 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TRPA1 O75762 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TTR P02766 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL777426 0.82 ALDH1A1 (0.38) GRM2DHODHMAPTALDH1A1L3MBTL1
SCHEMBL777427 0.79 MAPT (0.34) GRM2MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3883387 0.79 GRM2 (0.39) GRM2PPIADHODHMAPTALDH1A1
SCHEMBL776598 0.75 HDAC7 (0.48) MAPTALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL26604988 0.72 GLO1 (0.46) MAPTSMN1; SMN2POLBHPGDCASP3
SCHEMBL779347 0.71 MYC (0.38) GRM2DHODHMAPTALDH1A1L3MBTL1
SCHEMBL3636762 0.68 ELANE (0.48) GRM2PPIAMAPTL3MBTL1SMN1; SMN2
SCHEMBL28106244 0.68 TAS1R3 (0.42) MAPTALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL15630645 0.68 DHODH (0.50) GRM2PPIADHODHPOLBACMSD
SCHEMBL28693316 0.67 MAPK8 (0.39) MAPTALDH1A1SMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed