SCHEMBL8600361

SCHEMBL8600361

COc1ccc(C2C(=O)c3ccc(OCc4ccccc4)cc3C2=O)c2[nH]c(CC(C)c3ccccc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TOP1 P11387 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ STK10 O94804 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34

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
SCHEMBL8671822 0.88 MAPT (0.41) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8576284 0.88 MAPT (0.41) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8601582 0.88 MAPT (0.41) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8569752 0.88 MAPT (0.40) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8571260 0.88 MAPT (0.40) MAPTMAPK1MAOAMAOBKDM4E
SCHEMBL8604271 0.87 MAPT (0.39) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8571345 0.87 MAPT (0.41) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8570430 0.86 PDE4A (0.41) PDE4AMAPTMAPK1MAOAMAOB
SCHEMBL8598873 0.86 ADORA3 (0.40) MAPTMAPK1MAOAMAOBNPSR1
SCHEMBL2528009 0.85 PDE9A (0.42) MAPTMAPK1MAOAMAOBBCHE

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 — — WO disclosed
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