SCHEMBL6980504

SCHEMBL6980504

COC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)O)CC3=O)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
CHKA P35790 1/20 0.39

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
SCHEMBL2951550 0.88 HDAC1 (0.51) ABCB1ABCC1PDE4APDE4BPDE4C
SCHEMBL5177505 0.85 HDAC1 (0.50) MEN1KMT2AHDAC1HDAC6ALDH1A1
SCHEMBL2951697 0.81 ROCK2 (0.41) ABCB1ABCC1CYP46A1PDE4APDE4B
SCHEMBL671044 0.79 LOXL2 (0.48) MEN1KMT2AROCK2ROCK1MAPK10
SCHEMBL2944876 0.76 CHKA (0.66) ABCB1ABCC1MEN1KMT2AHDAC1
SCHEMBL2952886 0.75 SMN1; SMN2 (0.62) PDE4BKMT2AALDH1A1SMN1; SMN2CHKA
SCHEMBL2952031 0.74 EGFR (0.51) ADRB1ADRB3KMT2ASMN1; SMN2EGFR
SCHEMBL2943927 0.74 MAPT (0.53) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2951105 0.73 KDM1A (0.48) MEN1KMT2AALDH1A1POLBCHKA
SCHEMBL2951136 0.72 EGFR (0.49) PDE4APDE4BPDE4CPDE4DADRB1

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed