SCHEMBL3684149

SCHEMBL3684149

CC1=C(c2ccc(Oc3ccccc3)cc2)C(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.52
SLK Q9H2G2 1/20 0.51
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
GSTP1 P09211 1/20 0.47
PTGS2 P35354 4/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
NPC1 O15118 1/20 0.43
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL23291848 0.93 GSK3B (0.46) GSK3BSLKMAOAMAOBPTGS2
SCHEMBL23291858 0.90 SLK (0.49) GSK3BSLKMAOAMAOBGSTP1
SCHEMBL28527835 0.86 MAOA (0.50) GSK3BSLKMAOAMAOBGSTP1
SCHEMBL23291850 0.84 MAOA (0.47) GSK3BSLKMAOAMAOBGSTP1
SCHEMBL27860682 0.84 SLK (0.41) GSK3BSLKMAOAMAOBPTGS2
Diphenylether SCHEMBL10446942 0.84 MAOA (0.56) GSK3BMAOAMAOBGSTP1MMP2
SCHEMBL94149 0.84 GSK3B (0.58) GSK3BPTGS2
SCHEMBL94696 0.83 GSK3B (0.40) GSK3BSLKMAOAMAOBPTGS2
SCHEMBL7193397 0.82 PTGS2 (0.48) GSK3BPTGS2
SCHEMBL3677953 0.81 GSK3B (0.60) GSK3BSLKPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825188-B2 Thermoplastic elastomer with acyloxyphenyl hard block segment DESIGNER MOLECULES, INC. (US) 2010-11-02 US claimed
WO-2008077141-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2008-06-26 WO claimed
US-20080146738-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2008-06-19 US claimed
CN-112400138-A Material for forming film for lithography, composition for forming film for lithography, underlayer film for lithography, and pattern formation method 三菱瓦斯化学株式会社 2021-02-23 CN disclosed
US-7825188-B2 Thermoplastic elastomer with acyloxyphenyl hard block segment DESIGNER MOLECULES, INC. (US) 2010-11-02 US disclosed
WO-2008077141-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2008-06-26 WO disclosed
US-20080146738-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2008-06-19 US disclosed