SCHEMBL11096082

SCHEMBL11096082

C=C(C#N)C(=O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TUBB1 Q9H4B7 3/20 0.41
PDE4D Q08499 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MCL1 Q07820 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL28190711 0.80 MAPT (0.42) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL6932185 0.78 MAPT (0.51) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL7469868 0.76 MAPT (0.58) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL7478982 0.75 MAPT (0.51) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL4638173 0.74 MAPT (0.55) MAPTTDP1TUBB1PDE4DMEN1
Water SCHEMBL9749470 0.74 MAPT (0.70) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL9726919 0.74 MAPT (0.58) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL29503056 0.73 MAPT (0.54) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL5701110 0.73 MAPT (0.54) MAPTTDP1TUBB1PDE4DMEN1
SCHEMBL11683336 0.73 PDE4D (0.51) MAPTTDP1TUBB1PDE4DMEN1

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-4436752-A ANTISECRETORY, ANTIULCER ROUSSEL UCLAF (FR) 1984-03-13 US disclosed