SCHEMBL3398997

SCHEMBL3398997

O=C(O)COCC(=O)NCc1ccc(F)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AKR1B1 P15121 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 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
SCHEMBL13760223 0.85 POLB (0.45) POLBALDH1A1HPGDHSD17B10HTT
SCHEMBL18586625 0.83 HSD17B10 (0.54) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL3398999 0.81 HPGD (0.57) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL3397623 0.80 LMNA (0.55) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL52399 0.79 MMP13 (0.44) ALDH1A1HPGD
SCHEMBL149307 0.75 HDAC1 (0.50) POLBALDH1A1KMT2A
SCHEMBL2223140 0.73 CNR2 (0.43) SMN1; SMN2
SCHEMBL30457513 0.71 GRM2 (0.47) L3MBTL1GAA
SCHEMBL51488 0.71 GRM2 (0.47) L3MBTL1GAA
SCHEMBL77380 0.71 KDM4E (0.50) POLBALDH1A1HPGDHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed