SCHEMBL8633833

SCHEMBL8633833

CCC(C)OC(=O)C(CCCNC(=O)OC(C)(C)C)(OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
IDO1 P14902 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BRD4 O60885 1/20 0.36
DRD2 P14416 2/20 0.36
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL8633442 0.96 TDP1 (0.42) SYKMEN1GAAKMT2ATDP1
SCHEMBL8633540 0.81 IDO1 (0.46) SYKMEN1GAAKMT2ATDP1
SCHEMBL8632625 0.79 IDO1 (0.46) SYKGAATDP1NPSR1MALT1
SCHEMBL8633439 0.77 NPSR1 (0.46) SYKTDP1NPSR1IDO1MAPT
SCHEMBL8630069 0.76 MEN1 (0.48) MEN1GAAKMT2ATDP1CTSK
SCHEMBL8883484 0.75 PTPRB (0.45) SYKTDP1NPSR1IDO1MAPT
SCHEMBL8630758 0.75 IDO1 (0.44) SYKMEN1GAAKMT2ATDP1
SCHEMBL8633561 0.72 TDP1 (0.48) MEN1GAAKMT2ATDP1CTSK
SCHEMBL14985078 0.70 IDO1 (0.52) MEN1GAAKMT2ATDP1NPSR1
SCHEMBL1467340 0.69 NAAA (0.56) MEN1GAAKMT2ATDP1NPSR1

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-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US claimed