SCHEMBL8629934

SCHEMBL8629934

CCOC(=O)c1cc(C)c(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.43
GRM6 O15303 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL8628775 0.86 DAO (0.53) DAOHDAC3HDAC4HDAC1HDAC6
SCHEMBL8711499 0.82 DAO (0.59) DAOHDAC3HDAC4HDAC1HDAC6
SCHEMBL12438331 0.81 ALDH1A1 (0.57) DAOHDAC3HDAC4HDAC1HDAC6
SCHEMBL16302070 0.81 DAO (0.69) DAOALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL1514324 0.79 KDM4E (0.45) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL8630011 0.79 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6739730 0.79 PTPN2 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL1455300 0.78 USP10 (0.56) ALDH1A1HPGDTDP1KDM4EL3MBTL1
SCHEMBL6919868 0.76 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL14748325 0.75 HDAC3 (0.49) DAOHDAC3HDAC4HDAC1HDAC6

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