SCHEMBL8631493

SCHEMBL8631493

CCOC(=O)c1ccc(C(F)F)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
TLR2 O60603 1/20 0.47
NSD2 O96028 1/20 0.47
PKM P14618 1/20 0.47
MPI P34949 1/20 0.47
GRK6 P43250 1/20 0.47
RECQL P46063 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 4/20 0.44

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
SCHEMBL21940055 0.84 HDAC4 (0.57) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL449698 0.83 HDAC4 (0.73) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL13079492 0.81 HDAC4 (0.54) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL21940624 0.81 HDAC4 (0.54) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL25062393 0.81 HDAC4 (0.54) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL6440734 0.80 MEN1 (0.56) L3MBTL1NPC1RAB9AALDH1A1MAPT
SCHEMBL29617026 0.80 HDAC4 (0.64) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL1827714 0.79 HDAC4 (0.51) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL13049815 0.79 HDAC4 (0.55) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL669793 0.78 HDAC4 (0.62) HDAC4HDAC6L3MBTL1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed