SCHEMBL8028359

SCHEMBL8028359

COc1cc(C(F)(F)F)c(C(=O)N(C)C(=O)NC2CC2)c([N+](=O)[O-])c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LRRK2 Q5S007 1/20 0.33
TTR P02766 1/20 0.32
ERN1 O75460 1/20 0.32
MAPT P10636 4/20 0.32
PTK2 Q05397 1/20 0.32
POLB P06746 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
DRD2 P14416 3/20 0.32
PDE4B Q07343 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31

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
SCHEMBL8041249 0.88 TAS1R3 (0.35) ALDH1A1TTRDRD2TAS1R3TAS1R1
SCHEMBL8040084 0.84 ALDH1A1 (0.33) SMN1; SMN2LMNAALDH1A1LRRK2MAPT
SCHEMBL8025559 0.82 MAPT (0.37) SMN1; SMN2LMNAALDH1A1LRRK2TTR
SCHEMBL8041763 0.82 MEN1 (0.37) SMN1; SMN2ALDH1A1ERN1MAPTPOLB
SCHEMBL8028357 0.82 ALDH1A1 (0.41) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL8038220 0.78 PPIA (0.42) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL8028327 0.77 POLB (0.37) SMN1; SMN2ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL8034162 0.76 LRRK2 (0.38) LMNAALDH1A1LRRK2MAPTPTK2
SCHEMBL8035683 0.74 SMYD3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL8028353 0.73 CA1 (0.37) LMNAALDH1A1ERN1MAPTPOLB

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
WO-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed