SCHEMBL9501639

SCHEMBL9501639

CCCCOc1ccc(Sc2cc(C(=O)O[C@@H]3CC[C@@H]4CC(C)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
S1PR1 P21453 11/20 0.34
S1PR2 O95136 2/20 0.34
S1PR3 Q99500 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
HTR3E A5X5Y0 4/20 0.34
HTR3B O95264 4/20 0.34
HTR3A P46098 4/20 0.34
HTR3D Q70Z44 4/20 0.34
HTR3C Q8WXA8 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY2 P41231 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9501631 1.00 ADORA2A (0.37) ADORA2AS1PR1S1PR2S1PR3LPAR2
SCHEMBL9503038 0.93 ADORA2A (0.37) ADORA2AS1PR1S1PR2S1PR3LPAR2
SCHEMBL9501380 0.93 ADORA2A (0.37) ADORA2AS1PR1S1PR2S1PR3LPAR2
SCHEMBL9501628 0.92 ADORA2A (0.36) ADORA2AS1PR1S1PR2S1PR3LPAR2
SCHEMBL9501637 0.92 ADORA2A (0.36) ADORA2AS1PR1S1PR2S1PR3LPAR2
SCHEMBL10580658 0.90 ADORA2A (0.39) ADORA2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9501597 0.88 ADORA2A (0.41) ADORA2ASMN1; SMN2P2RY2HPGD
SCHEMBL9503071 0.88 ADORA2A (0.39) ADORA2AS1PR1HTR3EHTR3BHTR3A
SCHEMBL9503077 0.88 ADORA2A (0.39) ADORA2AS1PR1HTR3EHTR3BHTR3A
SCHEMBL9501713 0.88 ADORA2A (0.39) ADORA2AS1PR1HTR3EHTR3BHTR3A

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
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed