SCHEMBL7578049

SCHEMBL7578049

O=C(O)C(Nc1cccc(F)c1O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ALB P02768 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
RPS6KB1 P23443 2/20 0.38
AURKA O14965 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL13241014 0.87 GAA (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL2484664 0.87 GAA (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL16664407 0.87 GAA (0.50) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL7578154 0.86 GAA (0.43) GAAALDH1A1SMN1; SMN2LMNARAB9A
Hydrochloric Acid SCHEMBL2486567 0.85 GAA (0.49) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL7576115 0.80 KMT2A (0.46) GAAALDH1A1LMNARPS6KB1AURKA
SCHEMBL7584286 0.80 ALDH1A1 (0.48) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL2488739 0.79 SMN1; SMN2 (0.47) GAAALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL7575977 0.78 GAA (0.54) GAAALDH1A1LMNARAB9ANPC1
SCHEMBL3216199 0.77 MEN1 (0.48) GAAALDH1A1SMN1; SMN2LMNARAB9A

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed