SCHEMBL5069330

SCHEMBL5069330

COc1cccc(-c2ccc(CC(N)C(=O)OC)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.56
MAOB P27338 2/20 0.55
TPH1 P17752 4/20 0.52
TPH2 Q8IWU9 2/20 0.49
SLC13A5 Q86YT5 1/20 0.48
HSD17B2 P37059 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
IDH1 O75874 1/20 0.46

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
SCHEMBL1676859 1.00 MME (0.56) MMEMAOBTPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL1676855 0.99 MAOB (0.56) MMEMAOBTPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL1676860 0.99 MAOB (0.56) MMEMAOBTPH1TPH2SLC13A5
SCHEMBL7345126 0.88 TPH1 (0.63) MMEMAOBTPH1TPH2SLC13A5
SCHEMBL7345132 0.88 TPH1 (0.63) MMEMAOBTPH1TPH2SLC13A5
SCHEMBL2074406 0.88 MAOB (0.50) MMEMAOBTPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL16816868 0.87 TPH1 (0.62) MMEMAOBTPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL16816865 0.87 TPH1 (0.62) MMEMAOBTPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL2074402 0.87 MAOB (0.51) MMEMAOBTPH1TPH2SLC13A5
SCHEMBL539241 0.86 LDHA (0.54) MAOBTPH1ALDH1A1

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
EP-1908846-A1 METHOD OF PRODUCING COMPOUND HAVING ANTI-HCV ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-04-09 EP disclosed