SCHEMBL12074591

SCHEMBL12074591

CC(C)(C)OC(=O)NCCCc1cnc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.53
STK17A Q9UEE5 1/20 0.53
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL23660644 0.82 STK17B (0.52) STK17BSTK17ATDP1LMNADRD2
SCHEMBL24799132 0.81 STK17B (0.46) STK17BSTK17ALMNAMEN1KMT2A
SCHEMBL14830020 0.81 PYGL (0.53) STK17BSTK17ATDP1SMN1; SMN2CA1
SCHEMBL12240462 0.79 STK17B (0.44) STK17BSTK17ATDP1MAOAMAOB
SCHEMBL21077910 0.79 DRD2 (0.55) STK17BSTK17ATDP1IDO1LMNA
SCHEMBL15862589 0.78 STK17B (0.43) STK17BSTK17ATDP1MEN1KMT2A
SCHEMBL9998914 0.78 STK17B (0.41) STK17BSTK17AIDO1LMNAMEN1
SCHEMBL9998916 0.78 STK17B (0.41) STK17BSTK17AIDO1LMNAMEN1
SCHEMBL9999462 0.78 STK17B (0.41) STK17BSTK17AIDO1LMNAMEN1
SCHEMBL15862588 0.77 STK17B (0.42) STK17BSTK17ATDP1MEN1KMT2A

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-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO disclosed