SCHEMBL15211481

SCHEMBL15211481

O=C(Cc1coc2cc(OCc3ccc(Cl)cc3Cl)ccc12)NC(CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.48
PPARA Q07869 3/20 0.48
SLC26A4 O43511 1/20 0.46
POLB P06746 1/20 0.46
NR4A2 P43354 2/20 0.46
FFAR1 O14842 1/20 0.45
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL15211478 1.00 PPARD (0.48) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL17431343 0.91 TDP1 (0.46) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL17431376 0.91 TDP1 (0.46) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL15211617 0.85 PPARD (0.63) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL15211552 0.82 POLB (0.51) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL17431491 0.81 PPARD (0.48) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL15211234 0.81 PPARD (0.48) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL15211575 0.78 NR4A2 (0.58) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL17431378 0.77 POLB (0.53) PPARDPPARASLC26A4POLBNR4A2
SCHEMBL17431396 0.76 POLB (0.47) PPARDPPARASLC26A4POLBNR4A2

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 5 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
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