SCHEMBL15211552

SCHEMBL15211552

COC(=O)Cc1coc2cc(OCc3ccc(Cl)cc3Cl)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
SLC26A4 O43511 1/20 0.51
PPARD Q03181 3/20 0.50
PPARA Q07869 2/20 0.50
NR4A2 P43354 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
FFAR1 O14842 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL15211617 0.88 PPARD (0.63) POLBSLC26A4PPARDPPARANR4A2
SCHEMBL15220402 0.85 HDAC8 (0.47) POLBSLC26A4NR4A2MAPTALDH1A1
SCHEMBL17431376 0.85 TDP1 (0.46) POLBSLC26A4PPARDPPARANR4A2
SCHEMBL17431343 0.85 TDP1 (0.46) POLBSLC26A4PPARDPPARANR4A2
SCHEMBL15211684 0.84 POLB (0.52) POLBSLC26A4PPARDPPARANR4A2
SCHEMBL17444907 0.83 HDAC8 (0.44) POLBSLC26A4NR4A2MAPTALDH1A1
SCHEMBL15220395 0.82 HDAC8 (0.46) POLBSLC26A4NR4A2MAPTALDH1A1
SCHEMBL17431469 0.82 MTNR1A (0.57) POLBSLC26A4PPARDPPARANR4A2
SCHEMBL15211478 0.82 PPARD (0.48) POLBSLC26A4PPARDPPARANR4A2
SCHEMBL15211481 0.82 PPARD (0.48) POLBSLC26A4PPARDPPARANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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