SCHEMBL13878426

SCHEMBL13878426

CC(=O)Nc1cc(C(c2ccc(O)c(NC(=O)c3cccc(C(=O)Nc4cc(C(c5ccc(O)c(NC(=O)c6ccc(Oc7ccc(C(C)=O)cc7)cc6)c5)(C(F)(F)F)C(F)(F)F)ccc4O)c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC1 Q13547 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KCNMA1 Q12791 2/20 0.40
POLB P06746 2/20 0.40
PYGM P11217 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 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
SCHEMBL13955813 0.95 ESRRA (0.48) ESRRAMAPTKDM4EHDAC1CYP1A2
SCHEMBL13878450 0.93 MAPT (0.45) ESRRAMAPTKDM4EHDAC1CYP1A2
SCHEMBL14081565 0.92 MAPT (0.44) MAPTKDM4EHDAC1CYP1A2CYP3A4
SCHEMBL14560163 0.92 HDAC1 (0.50) MAPTKDM4EHDAC1MAPK1KCNMA1
SCHEMBL13878418 0.91 ESRRA (0.42) ESRRAMAPTKDM4EHDAC1CYP1A2
SCHEMBL14560155 0.91 KCNMA1 (0.47) MAPTKDM4EHDAC1CYP1A2CYP3A4
SCHEMBL13955796 0.91 KCNMA1 (0.46) MAPTKDM4EHDAC1CYP1A2CYP3A4
SCHEMBL13955815 0.90 ESRRA (0.44) ESRRAMAPTKDM4EHDAC1MAPK1
SCHEMBL14094879 0.90 ESRRA (0.44) ESRRAMAPTKDM4EHDAC1MAPK1
SCHEMBL13155900 0.89 KCNMA1 (0.49) MAPTKDM4EHDAC1CYP1A2CYP3A4

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-20090111050-A1 Novel Photosensitive Resin Compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2009-04-30 US disclosed