SCHEMBL3673533

SCHEMBL3673533

CCOc1ccc(C2=C(C)C(=O)NC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
ALDH1A1 P00352 3/20 0.44
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GSK3B P49841 1/20 0.42
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
MGAT2 Q10469 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
PLK1 P53350 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GUSB P08236 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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 0.82 GSK3B (0.46) MEN1KMT2AGSK3BPTGS2
SCHEMBL7193397 0.82 PTGS2 (0.48) GSK3BPTGS2
SCHEMBL3677953 0.81 GSK3B (0.60) MEN1KMT2AGSK3BPTGS2MAPT
SCHEMBL12424754 0.79 NQO1 (0.50) NQO1ALDH1A1PIM1PIM2MEN1
SCHEMBL3684149 0.77 GSK3B (0.52) GSK3BPTGS2NPC1
SCHEMBL1164429 0.76 PTGS2 (0.58) ALDH1A1MEN1KMT2AGSK3BPTGS2
SCHEMBL10586896 0.75 PTGS2 (0.41) ALDH1A1GSK3BPTGS2LMNA
SCHEMBL27860682 0.74 SLK (0.41) MEN1KMT2AGSK3BPTGS2
SCHEMBL23291858 0.74 SLK (0.49) ALDH1A1MEN1KMT2AGSK3BMAPT
SCHEMBL23424163 0.73 LTA4H (0.53) NQO1ALDH1A1PIM1PIM2PTGS2

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 6 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
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