SCHEMBL23017397

SCHEMBL23017397

CC(C)C(=O)OCCCOC(=O)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
RECQL P46063 1/20 0.63
LMNA P02545 4/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
CHRNA7 P36544 1/20 0.52
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL10597471 0.88 RAB9A (0.77) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL4843520 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL17263428 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL10817231 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL10595749 0.83 LMNA (0.65) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL3765824 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL5540368 0.81 LMNA (0.62) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL8600999 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL18685289 0.80 LMNA (0.62) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL27999408 0.80 RAB9A (0.71) RAB9ANPC1SMN1; SMN2RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3783721-A1 SOLID ELECTROLYTE COMPOSITION, SHEET FOR ALL-SOLID-STATE SECONDARY CELL, ELECTRODE SHEET FOR ALL-SOLID-STATE SECONDARY CELL, ALL-SOLID-STATE SECONDARY CELL, AND METHOD FOR MANUFACTURING ALL-SOLID-STATE SECONDARY CELL AND SHEET FOR ALL-SOLID-STATE SECONDARY CELL FUJIFILM CORPORATION (JP) 2021-02-24 EP disclosed