SCHEMBL8772408

SCHEMBL8772408

CC(C)(N)c1cc(C(C)(C)N)c(O)c(C(C)(C)N)c1.CN(C)Cc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6833269 0.80 KDM4E (0.45) ALOX15CYP2C19MAPK1HTTCYP2D6
SCHEMBL2879775 0.79 ALDH1A1 (0.48) ALOX15CYP2C19HTTCYP3A4ALDH1A1
SCHEMBL116610 0.76 ALDH1A1 (0.56) ALOX15CYP2C19CYP2D6CYP3A4ALDH1A1
SCHEMBL29354255 0.76 ALDH1A1 (0.56) ALOX15CYP2C19CYP2D6CYP3A4ALDH1A1
SCHEMBL8431505 0.75 ALOX15 (0.54) ALOX15CYP2C19MAPK1HTTCYP2D6
SCHEMBL28611072 0.75 ALDH1A1 (0.54) ALOX15CYP2C19CYP2D6CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL27583168 0.75 ALDH1A1 (0.54) ALOX15CYP2C19CYP2D6CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6915484 0.75 ALDH1A1 (0.54) ALOX15CYP2C19CYP2D6CYP3A4ALDH1A1
SCHEMBL49240 0.74 CA2 (0.42) ALOX15HTTCYP3A4ALDH1A1GAA
SCHEMBL8852306 0.72 HSPA5 (0.47) ALOX15CYP2C19MAPK1HTTCYP2D6

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
EP-0501734-B1 Epoxy resin composition for encapsulating a semiconductor device TORAY INDUSTRIES (JP) 1997-10-15 EP disclosed