SCHEMBL8309680

SCHEMBL8309680

CNC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
VCAM1 P19320 9/20 0.45
GAA P10253 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40

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
SCHEMBL8335793 0.86 GAA (0.57) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9119059 0.81 MAPT (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL4397391 0.81 HPN (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9411884 0.80 ALDH1A1 (0.56) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550709 0.79 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL646924 0.79 ALOX15 (0.63) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8337417 0.78 GAA (0.49) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL7703078 0.78 POLB (0.48) MAPTALOX15GAASMN1; SMN2KMT2A
SCHEMBL8309677 0.77 MAPT (0.49) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL7698636 0.77 HPGD (0.48) HPNMAPTALOX15SIRT5GAA

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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed