SCHEMBL6882935

SCHEMBL6882935

CCOc1cc(CC)cc(OCC)c1P(c1c(OCC)cc(CC)cc1OCC)c1c(OCC)cc(CC)cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 3/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CALM1 P0DP23 2/20 0.35
TSHR P16473 4/20 0.34
CYP3A4 P08684 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 4/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6884520 0.80 NQO1 (0.44) ALDH1A1MAPTKDM4EPOLBMAPK1
SCHEMBL6874622 0.80 MAPT (0.39) ALDH1A1MAPTKDM4EPOLBMAPK1
SCHEMBL6873501 0.80 PTGS2 (0.61) PTGS2ALDH1A1KDM4EPOLBHTR2A
SCHEMBL22946267 0.77 PTGS2 (0.46) PTGS2ALDH1A1MAPTKDM4EPOLB
SCHEMBL20399497 0.76 PTGS2 (0.45) PTGS2ALDH1A1MAPTKDM4EPOLB
SCHEMBL27526084 0.76 PTGS2 (0.45) PTGS2ALDH1A1MAPTKDM4EPOLB
SCHEMBL6884538 0.73 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL20399726 0.72 TRPA1 (0.43) PTGS2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2521728 0.71 CALM1 (0.51) ALDH1A1MAPTKDM4EPOLBMAPK1
SCHEMBL6880348 0.71 TSHR (0.46) ALDH1A1MAPTKDM4EPOLBMAPK1

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
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