SCHEMBL6567249

SCHEMBL6567249

CC(C)(C)CC(C)(C)NC(=O)c1cc(O)c(Br)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
LMNA P02545 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
GAA P10253 1/20 0.37
ALPG P10696 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2916981 0.84 POLB (0.70) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1886120 0.80 POLB (0.53) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL6566803 0.77 POLB (0.57) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL3079819 0.77 POLB (0.60) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL13139946 0.77 POLB (0.60) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL13178777 0.74 POLB (0.57) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL21246678 0.73 POLB (0.44) POLBHTTSMN1; SMN2MAPTKDM4E
SCHEMBL21246723 0.73 POLB (0.44) POLBHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL24263392 0.73 POLB (1.00) POLBHTTSMN1; SMN2LMNAGAA
SCHEMBL21246814 0.72 POLB (0.50) POLBHTTSMN1; SMN2MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed