SCHEMBL16201609

SCHEMBL16201609

COc1c(C)cc(Cn2c(=O)n(Cc3cc(C)c(O)c(C)c3)c(=O)n(Cc3cc(C)c(OC)c(C)c3)c2=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 3/20 0.37
C5AR1 P21730 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL16201822 0.91 C5AR1 (0.41) ALDH1A1C5AR1KMT2AMAPTPPARG
SCHEMBL4635049 0.88 C5AR1 (0.44) C5AR1MAOAMAOBCISD1KMT2A
SCHEMBL16200756 0.82 C5AR1 (0.41) C5AR1MAOAMAOBCISD1KMT2A
SCHEMBL18800187 0.81 P2RX3 (0.40) C5AR1
SCHEMBL18780425 0.78 SHBG (0.52) ALDH1A1EPHX2
SCHEMBL7601729 0.78 KMT2A (0.43) ALDH1A1C5AR1MAOAMAOBCISD1
SCHEMBL24325204 0.75 TDP1 (0.52) ALDH1A1KMT2AMEN1MAPTATM
SCHEMBL2352374 0.73 CYP1A2 (0.50) ALDH1A1KMT2AMEN1MAPTATM
SCHEMBL7608585 0.73 MAPT (0.45) C5AR1KMT2AMEN1MAPT
SCHEMBL30552341 0.73 CYP1A2 (0.50) ALDH1A1KMT2AMEN1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012572-B2 Polyphenylene ether oligomer and article employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-04-21 US disclosed
US-20140322545-A1 RESIN COMPOSITION, PREPREG, AND SUBSTRATE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-10-30 US disclosed
US-20140323666-A1 POLYPHENYLENE ETHER OLIGOMER AND ARTICLE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-10-30 US disclosed