SCHEMBL11269869

SCHEMBL11269869

CCOC(=O)C1(C)OC(=O)N(c2cc(C)cc(C)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36
GAA P10253 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
Chlozolinate SCHEMBL10638292 0.88 TSHR (0.40) ALDH1A1MAPTGLATSHRTP53
Chlozolinate SCHEMBL10347793 0.88 TSHR (0.40) ALDH1A1MAPTGLATSHRTP53
Chlozolinate SCHEMBL21229 0.88 TSHR (0.40) ALDH1A1MAPTGLATSHRTP53
SCHEMBL11269738 0.87 ALDH1A1 (0.35) ALDH1A1MAPTGLACTDSP1POLB
SCHEMBL11263372 0.86 ALDH1A1 (0.39) ALDH1A1MAPTGLACYP3A4NPSR1
Chlozolinate SCHEMBL747833 0.85 AR (0.40) ALDH1A1MAPTGLATSHRTP53
SCHEMBL11277121 0.84 MAPT (0.44) ALDH1A1MAPTGLAGAACTDSP1
SCHEMBL11266142 0.81 ALDH1A1 (0.44) ALDH1A1MAPTALOX12GAATDP1
SCHEMBL11268442 0.81 MAPT (0.45) ALDH1A1MAPTGLANPSR1GAA
Chlozolinate SCHEMBL10456638 0.81 TSHR (0.56) ALDH1A1MAPTGLATSHRTP53

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-4342773-A N-Aryl-1,3-oxazolidine-2,4-diones exerting a fungicidal, systemic action in the field MONTEDISON S.P.A. (IT) 1982-08-03 US claimed