SCHEMBL9503193

SCHEMBL9503193

CCCCOC1CCC2CC(OC(=O)c3cc(SCc4ccc(C)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)CCC2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.32
HTR3B O95264 6/20 0.32
HTR3A P46098 6/20 0.32
HTR3D Q70Z44 6/20 0.32
HTR3C Q8WXA8 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 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
SCHEMBL9503196 1.00 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501703 0.95 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501708 0.95 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505289 0.89 MAPT (0.33) SMN1; SMN2ALDH1A1MAPTMEN1LMNA
SCHEMBL9505294 0.89 MAPT (0.33) SMN1; SMN2ALDH1A1MAPTMEN1LMNA
SCHEMBL9505230 0.88 MAPT (0.32) SMN1; SMN2ALDH1A1MAPTMEN1LMNA
SCHEMBL9505220 0.88 MAPT (0.32) SMN1; SMN2ALDH1A1MAPTMEN1LMNA
SCHEMBL9505187 0.87 MAPT (0.32) SMN1; SMN2ALDH1A1MAPTMEN1LMNA
SCHEMBL9505190 0.87 MAPT (0.32) SMN1; SMN2ALDH1A1MAPTMEN1LMNA
SCHEMBL9501378 0.85 P2RY4 (0.37) 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