SCHEMBL9501628

SCHEMBL9501628

CCCCOc1ccc(Sc2cc(C(=O)OC3CCC4CC(CC)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
HTR3E A5X5Y0 5/20 0.34
HTR3B O95264 5/20 0.34
HTR3A P46098 5/20 0.34
HTR3D Q70Z44 5/20 0.34
HTR3C Q8WXA8 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
S1PR1 P21453 11/20 0.33
S1PR2 O95136 2/20 0.33
S1PR3 Q99500 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL9501637 1.00 ADORA2A (0.36) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9501380 0.92 ADORA2A (0.37) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9503038 0.92 ADORA2A (0.37) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9501639 0.92 ADORA2A (0.37) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9501631 0.92 ADORA2A (0.37) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9503006 0.89 ADORA2A (0.38) ADORA2AMEN1MAPTKMT2A
SCHEMBL9503001 0.89 ADORA2A (0.38) ADORA2AMEN1MAPTKMT2A
SCHEMBL9501720 0.87 ADORA2A (0.39) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9503077 0.87 ADORA2A (0.39) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9501713 0.87 ADORA2A (0.39) ADORA2AHTR3EHTR3BHTR3AHTR3D

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