SCHEMBL6800892

SCHEMBL6800892

Cc1noc(C)c1COc1ccc(C[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
ALDH1A1 P00352 2/20 0.57
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.47
MDM2 Q00987 1/20 0.47

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
SCHEMBL5881486 0.81 GAA (0.66) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1928504 0.80 GAA (0.67) GAAALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3499932 0.80 GAA (0.71) GAAALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL15012218 0.77 LMNA (0.65) GAAALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL17319189 0.77 GAA (0.64) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL14831873 0.76 GAA (0.63) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL16771569 0.76 GAA (0.80) GAAALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL20511052 0.76 GAA (1.00) GAAALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL6806069 0.75 ADAM17 (0.39) GAAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL30636130 0.75 GAA (0.78) GAAALDH1A1LMNASMN1; SMN2RAB9A

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