SCHEMBL6529513

SCHEMBL6529513

CC(=O)OCC(CCc1ccc(-c2ccsc2)cc1)(COC(C)=O)CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CHEK2 O96017 2/20 0.35
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MME P08473 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
P2RX3 P56373 1/20 0.32
SLC13A5 Q86YT5 2/20 0.32

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
SCHEMBL6504731 0.81 S1PR1 (0.47) MEN1MAPTKMT2A
SCHEMBL6500410 0.78 ACACB (0.42) MAPT
SCHEMBL6530114 0.75 SLC13A5 (0.45) CYP11B1CYP11B2SLC13A5
SCHEMBL6528902 0.74 MMP3 (0.38) MEN1KMT2ASLC13A5
SCHEMBL6529853 0.74 SLC13A5 (0.39) MEN1MAPTKMT2ASLC13A5HDAC2
SCHEMBL589925 0.74 MEN1 (0.35) MEN1MAPTKMT2A
SCHEMBL6527018 0.74 RARB (0.41) MEN1MAPTKMT2A
SCHEMBL6527585 0.74 S1PR1 (0.39) SLC13A5
SCHEMBL6531218 0.73 SLC13A5 (0.41) MEN1KMT2ASLC13A5
SCHEMBL6530516 0.73 SLC13A5 (0.53) SLC13A5

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed