SCHEMBL9501708

SCHEMBL9501708

CCCCOC1CCC2C[C@H](OC(=O)c3cc(SCc4ccccc4)c4c(c3N)C(=O)c3ccccc3C4=O)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 8/20 0.35
HTR3B O95264 8/20 0.35
HTR3A P46098 8/20 0.35
HTR3D Q70Z44 8/20 0.35
HTR3C Q8WXA8 8/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA4 P22748 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 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
SCHEMBL9501703 1.00 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503193 0.95 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503196 0.95 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9502337 0.90 CA12 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9502339 0.90 CA12 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503054 0.88 MEN1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503047 0.88 MEN1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505238 0.86 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505232 0.86 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503124 0.86 MEN1 (0.35) 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