SCHEMBL6801133

SCHEMBL6801133

Cc1nc(COc2ccc(C[C]=O)cc2)c(C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 2/20 0.34
PTPN11 Q06124 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SOD1 P00441 1/20 0.34
FFAR1 O14842 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PARP10 Q53GL7 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6804342 0.78 ADAM17 (0.37) SLC6A3MAPTL3MBTL1FFAR1PPARD
SCHEMBL7263114 0.75 LMNA (0.36) LMNASLC6A3MAPTPTPN11L3MBTL1
SCHEMBL6803571 0.74 RAB9A (0.40) LMNATDP1SOD1MAOBMEN1
SCHEMBL1758562 0.73 SLC6A3 (0.39) SLC6A3
SCHEMBL6804913 0.70 PARP10 (0.56) MAPTFFAR1ALDH1A1MAOBPARP10
SCHEMBL6806069 0.70 ADAM17 (0.39) MAPTL3MBTL1TDP1SOD1FFAR1
SCHEMBL6804893 0.70 SOD1 (0.42) LMNAMAPTL3MBTL1TDP1SOD1
SCHEMBL6806039 0.69 MAPT (0.41) LMNAMAPTL3MBTL1FFAR1PPARA
SCHEMBL6804575 0.69 FFAR1 (0.42) SLC6A3MAPTFFAR1ALDH1A1HPGD
SCHEMBL6805550 0.69 SLC22A12 (0.43) FFAR1MAOB

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
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed