SCHEMBL5144944

SCHEMBL5144944

COC(=O)c1ccc(-c2ccc(/C(=C3\NC(=O)NC3=O)c3cccc(Cl)c3)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
HSPD1 P10809 1/20 0.43
HSPE1 P61604 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
PIK3CG P48736 1/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
TNKS O95271 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 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
SCHEMBL5144952 1.00 POLB (0.43) POLBGFERHSPD1HSPE1SIRT2
SCHEMBL5144975 0.82 TTR (0.46) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL5144980 0.82 TTR (0.46) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL6395656 0.82 KEAP1 (0.47) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5145164 0.78 KDM4E (0.48) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL5145313 0.77 MEN1 (0.46) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL5145320 0.77 MEN1 (0.46) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL5181927 0.69 SIRT2 (0.46) POLBHSPD1HSPE1SIRT2ALDH1A1
SCHEMBL4945600 0.68 ALDH1A1 (0.67) POLBGFERALDH1A1KMT2AMEN1
SCHEMBL5146672 0.68 ALDH1A1 (0.49) POLBALDH1A1KMT2AMEN1HPGD

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-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 WO disclosed