SCHEMBL9505232

SCHEMBL9505232

CCCCCCCCOC1CCC2CC(OC(=O)c3cc(SC)c4c(c3N)C(=O)c3ccccc3C4=O)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 7/20 0.37
HTR3B O95264 7/20 0.37
HTR3A P46098 7/20 0.37
HTR3D Q70Z44 7/20 0.37
HTR3C Q8WXA8 7/20 0.37
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 3/20 0.32
THRB P10828 2/20 0.32
GRK6 P43250 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9505238 1.00 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9502345 0.87 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9502341 0.87 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501708 0.86 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501703 0.86 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503142 0.85 MAPT (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503133 0.85 MAPT (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501615 0.85 MAPT (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501619 0.85 MAPT (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503193 0.84 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed