SCHEMBL9486146

SCHEMBL9486146

CC[C@H](C)[C@H](F)C(=O)O[C@H]1CC[C@H](c2ccc(OC(=O)c3ccc(OC)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
PDE4B Q07343 6/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 2/20 0.34
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
IDO1 P14902 1/20 0.32
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABCB1 P08183 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL9491249 0.93 ACACB (0.34) MAPTSMN1; SMN2HIF1AIDO1KMT2A
SCHEMBL9491241 0.93 ACACB (0.34) MAPTSMN1; SMN2HIF1AIDO1KMT2A
SCHEMBL9485952 0.90 RAB9A (0.33) PDE4BIDO1NPSR1
SCHEMBL9487280 0.90 RAB9A (0.37) IDO1
SCHEMBL9486105 0.89 RAB9A (0.36) SMN1; SMN2
SCHEMBL9484845 0.88 RAB9A (0.36) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9486170 0.88 RAB9A (0.36) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9484754 0.88 RAB9A (0.36) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9486091 0.88 RAB9A (0.36) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9484886 0.88 RAB9A (0.36) MAPTSMN1; SMN2KMT2AMEN1

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-0343487-B1 CYCLOHEXYL ESTERS OF ALPHA-FLUORO/CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed