SCHEMBL91264

SCHEMBL91264

CCc1cccc(OCc2cc(OC)cc(OC)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.67
APP P05067 1/20 0.57
ABCB1 P08183 2/20 0.55
MRGPRX4 Q96LA9 1/20 0.54
SOD1 P00441 1/20 0.54
IDO1 P14902 1/20 0.50
AGXT P21549 1/20 0.50
BCHE P06276 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL13462942 0.91 MAOB (0.69) MAOBAPPABCB1MRGPRX4SOD1
SCHEMBL13462938 0.88 MAOB (0.65) MAOBAPPABCB1BCHE
SCHEMBL10796146 0.84 MAPK1 (0.60) MAOBAPPIDO1AGXTKDM4E
SCHEMBL29925214 0.84 MAOB (0.68) MAOBSOD1BCHEKDM4EALDH1A1
SCHEMBL91188 0.84 MAOB (0.68) MAOBSOD1BCHEKDM4EALDH1A1
SCHEMBL12903697 0.83 MAOB (0.47) MAOBAPPABCB1ALDH1A1
SCHEMBL29908907 0.83 TAAR1 (0.62) MAOBIDO1AGXT
SCHEMBL12497 0.83 TAAR1 (0.62) MAOBIDO1AGXT
SCHEMBL7917111 0.83 MAOB (0.62) MAOBAPPABCB1MRGPRX4
SCHEMBL5987976 0.83 MAOB (0.76) MAOBAPPABCB1MRGPRX4

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed