SCHEMBL9503131

SCHEMBL9503131

CCCCOC1CCC2CC(OC(=O)c3cc(NCc4ccccc4)c4c(c3N)C(=O)c3ccccc3C4=O)CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
HTR3E A5X5Y0 6/20 0.35
HTR3B O95264 6/20 0.35
HTR3A P46098 6/20 0.35
HTR3D Q70Z44 6/20 0.35
HTR3C Q8WXA8 6/20 0.35
ALOX15 P16050 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
PKLR P30613 2/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL9503140 1.00 P2RY4 (0.42) P2RY4SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL9501378 0.95 P2RY4 (0.37) P2RY4SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL9501381 0.95 P2RY4 (0.37) P2RY4SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL9503109 0.90 P2RY4 (0.41) P2RY4SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL9503114 0.90 P2RY4 (0.41) P2RY4SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL9504399 0.88 P2RY4 (0.46) P2RY4ALOX15PKLRMAPK1GRK6
SCHEMBL9504395 0.88 P2RY4 (0.46) P2RY4ALOX15PKLRMAPK1GRK6
SCHEMBL9502345 0.86 HTR3E (0.37) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
SCHEMBL9502341 0.86 HTR3E (0.37) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
SCHEMBL9504285 0.86 P2RY4 (0.45) P2RY4ALOX15CA12CA1CA2

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 3 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
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed