SCHEMBL10328650

SCHEMBL10328650

Nc1ccc(COc2coc(C(=O)O)cc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
PTGER4 P35408 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LDHA P00338 2/20 0.41
FOLH1 Q04609 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL1037140 0.87 PTGER4 (0.52) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL10328616 0.86 RXRA (0.52) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL3334602 0.86 NPC1 (0.67) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL10328542 0.86 MRGPRX4 (0.50) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL10328594 0.86 MEN1 (0.50) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL10328621 0.86 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL17112794 0.84 NPC1 (0.51) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9356623 0.84 RAB9A (0.52) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL13302166 0.83 RAB9A (0.47) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL10328539 0.83 PTGER4 (0.49) RAB9ANPC1CYP1A2CYP2C19RECQL

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-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP disclosed
WO-2008086949-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed