SCHEMBL6884520

SCHEMBL6884520

CCOc1cc(OCC)c(P(c2c(OCC)cc(OCC)cc2OCC)c2c(OCC)cc(OCC)cc2OCC)c(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ALOX15 P16050 1/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL6874622 0.82 MAPT (0.39) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL6882935 0.80 PTGS2 (0.43) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL9311655 0.78 KMT2A (0.39) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3765104 0.77 NQO1 (0.44) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL6291598 0.77 LTA4H (0.41) TSHRCYP3A4LTA4HGAA
SCHEMBL6630377 0.76 NQO1 (0.48) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL14562274 0.74 TSHR (0.48) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL16575424 0.74 NQO1 (0.46) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL31376349 0.74 KDM4E (0.47) NQO1KDM4ETSHRTDP1MAPT
SCHEMBL6630372 0.74 NQO1 (0.46) NQO1KDM4ETSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0416885-B1 Vulcanizable epoxy group-containing elastomer composition SUMITOMO CHEMICAL CO (JP) 1995-12-13 EP disclosed
US-5292825-A Imide or thioimide compound, and phosphine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-08 US disclosed
EP-0416885-A1 Vulcanizable epoxy group-containing elastomer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed