SCHEMBL4745597

SCHEMBL4745597

COCCOCCOCCOc1cccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cccc(OCCOCCOCCOC)c3)=C3C=CC(=N3)C=C3C=CC2=N3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ NR4A2 P43354 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ APP P05067 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ PRKCQ Q04759 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
Dimethylamine SCHEMBL1861764 0.84 KDM4E (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL585273 0.84 MAOA (0.34) CYP1A2CYP2C19
SCHEMBL1854878 0.84 PDE2A (0.37) ALDH1A1CYP1A2CYP2C19PIM1
SCHEMBL2325507 0.83 CYP1A2 (0.32) CYP1A2CYP2C19
SCHEMBL585529 0.83 CLK4 (0.39) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL584375 0.82 CHRNB2 (0.33) CYP1A2CYP2C19
SCHEMBL1856480 0.82 FFAR1 (0.35) CYP1A2CYP2C19
SCHEMBL2202844 0.79 TSHR (0.37) CYP1A2CYP2C19TSHR
Dimethylamine SCHEMBL1859717 0.76 DHODH (0.33) DHODH
SCHEMBL2360345 0.74 CYP1A2 (0.32) CYP1A2CYP2C19TSHRHRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119950-A1 PORPHYRIN COMPOUNDS ISIS INNOVATION LIMITED (GB) 2008-10-09 — — WO disclosed
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