SCHEMBL15211549

SCHEMBL15211549

CC(=O)Oc1c(C)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 4/20 0.61
POLB P06746 3/20 0.61
NR4A2 P43354 2/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
MAOA P21397 2/20 0.44
ACHE P22303 2/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGER4 P35408 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
SCHEMBL15211337 0.82 POLB (0.48) SLC26A4POLBNR4A2KMT2AKDM4E
SCHEMBL15211487 0.81 KDM4E (0.43) SLC26A4POLBKMT2AMEN1ACHE
SCHEMBL15211619 0.80 POLB (0.52) SLC26A4POLBNR4A2KMT2AMEN1
SCHEMBL15211265 0.79 SLC26A4 (0.46) SLC26A4POLBNR4A2ALDH1A1GAA
SCHEMBL15211565 0.78 HDAC8 (0.46) SLC26A4POLBMAOAMAOBKDM4E
SCHEMBL15211374 0.78 POLB (0.45) SLC26A4POLBNR4A2KMT2ANR4A1
SCHEMBL24470989 0.76 SLC26A4 (1.00) SLC26A4POLBNR4A2KMT2AMEN1
SCHEMBL15212687 0.75 SLC26A4 (0.41) SLC26A4POLBHPGD
SCHEMBL15211268 0.74 NR4A2 (0.46) SLC26A4POLBNR4A2KMT2AMEN1
SCHEMBL15211282 0.73 NR4A2 (0.49) SLC26A4POLBNR4A2KMT2AMEN1

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-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