SCHEMBL7430950

SCHEMBL7430950

CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
MIF P14174 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38

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
SCHEMBL16935680 0.88 CKS1B (0.40) NQO2CKS1BSKP1SKP2TDP1
SCHEMBL15862041 0.85 IDO1 (0.40) NQO2CKS1BSKP1SKP2TDP1
SCHEMBL7430134 0.82 NOX1 (0.46) CKS1BSKP1SKP2CA12CA1
SCHEMBL17890670 0.80 HTR6 (0.41) MIFMEN1KMT2APDK1PDK2
SCHEMBL9363322 0.80 TDP1 (0.49) CKS1BSKP1SKP2TDP1CA12
SCHEMBL7430639 0.80 EPHX1 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL9185897 0.79 TDP1 (0.45) TDP1CA12CA1CA2CA9
SCHEMBL15584401 0.79 NQO2 (0.43) NQO2CKS1BSKP1SKP2CA12
SCHEMBL3894800 0.78 TSHR (0.42) MIFCA12CA1CA2CA9
SCHEMBL9407493 0.78 SMN1; SMN2 (0.48) CKS1BSKP1SKP2MEN1GAA

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-2000048993-A1 ARYLAMINOALKYLAMIDES NOVARTIS AG (CH) 2000-08-24 WO disclosed