SCHEMBL15211523

SCHEMBL15211523

Cc1ccc(COc2ccc3c(CC(=O)O)csc3c2C)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.40
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
PPARG P37231 2/20 0.38
DUSP3 P51452 2/20 0.37
PTPN5 P54829 2/20 0.37
PTPN11 Q06124 2/20 0.37
CTDSP1 Q9GZU7 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17444886 0.89 KDM4E (0.37) MBOAT4PPARDPPARAPPARGMEN1
SCHEMBL15211371 0.85 PPARD (0.37) PPARDPPARAPPARGDUSP3PTPN5
SCHEMBL15211277 0.83 MBOAT4 (0.41) MBOAT4PPARDPPARAPPARGPTGDR2
SCHEMBL15211522 0.83 MBOAT4 (0.33) MBOAT4DUSP3PTPN5PTPN11CTDSP1
SCHEMBL17431285 0.82 MBOAT4 (0.33) MBOAT4DUSP3PTPN5PTPN11CTDSP1
SCHEMBL17431380 0.80 POLB (0.48) PPARDPPARADUSP3PTPN5PTPN11
SCHEMBL19192835 0.80 POLB (0.48) MBOAT4PPARDPPARAPPARGDUSP3
SCHEMBL17431407 0.79 SMN1; SMN2 (0.55) MBOAT4DUSP3PTPN5PTPN11CTDSP1
SCHEMBL15211403 0.78 PPARD (0.58) MBOAT4PPARDPPARAPPARGMEN1
SCHEMBL19178078 0.77 HSD17B10 (0.47) PPARDPPARAPPARGMEN1KMT2A

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