SCHEMBL15212882

SCHEMBL15212882

CC(O)c1c(OCc2ccc(Cl)cc2Cl)ccc2c(CC(=O)O)coc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
NR4A2 P43354 2/20 0.42
PTGER1 P34995 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 5/20 0.41
SLC26A4 O43511 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NR4A1 P22736 1/20 0.40

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
SCHEMBL15220441 0.90 HDAC8 (0.44) POLBFABP3FABP4FABP5NR4A2
SCHEMBL15211749 0.87 POLB (0.54) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL15211713 0.86 FABP3 (0.48) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL17431323 0.85 FABP3 (0.41) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL15211842 0.85 FABP3 (0.46) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL15211631 0.84 MRGPRX4 (0.50) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL15211489 0.82 PPARD (0.55) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL17431443 0.80 SMN1; SMN2 (0.44) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL17444911 0.77 MAPT (0.54) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL17444865 0.77 HDAC8 (0.47) POLBFABP3FABP4FABP5NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed