SCHEMBL9501378

SCHEMBL9501378

CCCCOC1CCC2CC(OC(=O)c3cc(NCc4ccc(C)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR3E A5X5Y0 4/20 0.32
HTR3B O95264 4/20 0.32
HTR3A P46098 4/20 0.32
HTR3D Q70Z44 4/20 0.32
HTR3C Q8WXA8 4/20 0.32
PLK1 P53350 1/20 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

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
SCHEMBL9501381 1.00 P2RY4 (0.37) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9503140 0.95 P2RY4 (0.42) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9503131 0.95 P2RY4 (0.42) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9501758 0.89 P2RY4 (0.40) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9501751 0.89 P2RY4 (0.40) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9502251 0.88 P2RY4 (0.39) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9502254 0.88 P2RY4 (0.39) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9503080 0.87 P2RY4 (0.38) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9503086 0.87 P2RY4 (0.38) P2RY4SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL9503193 0.85 HTR3E (0.32) SMN1; SMN2MAPTALDH1A1NPSR1TDP1

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