SCHEMBL9501371

SCHEMBL9501371

Cc1ccc(CCc2cc(C(=O)OC3CCC4CC(OC(C)C)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=S)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
OPRL1 P41146 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9501664 0.92 SCN1A (0.33) SCN1ASCN2ASCN3AOPRL1MEN1
SCHEMBL9501447 0.91 SCN1A (0.33) SCN1ASCN2ASCN3AOPRL1MEN1
SCHEMBL9505227 0.90 SCN1A (0.31) SCN1ASCN2ASCN3A
SCHEMBL9501355 0.82 FFAR4 (0.32) FFAR4MEN1ALDH1A1LMNAMAPT
SCHEMBL9501719 0.80 HTR3E (0.34) MEN1MAPTPKMKMT2ASMN1; SMN2
SCHEMBL9504302 0.80 HTR3E (0.33) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9503045 0.79 HCRTR1 (0.33) SCN1ASCN2ASCN3AMEN1ALDH1A1
SCHEMBL9503099 0.78 SCN1A (0.32) SCN1ASCN2ASCN3AMEN1ALDH1A1
SCHEMBL9501602 0.78 ALDH1A1 (0.33) SCN1ASCN2ASCN3AMEN1ALDH1A1
SCHEMBL10580668 0.75 ALDH1A1 (0.33) SCN1ASCN2ASCN3AALDH1A1LMNA

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-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed