SCHEMBL15211337

SCHEMBL15211337

CC(=O)Oc1c(C)oc2cc(OCc3ccc(Cl)cc3Cl)c(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SLC26A4 O43511 1/20 0.48
HDAC8 Q9BY41 2/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PTGER1 P34995 5/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 3/20 0.39
NR4A2 P43354 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL15211265 0.85 SLC26A4 (0.46) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15211549 0.82 SLC26A4 (0.61) POLBSLC26A4ALDH1A1KDM4EKMT2A
SCHEMBL15211448 0.82 HDAC8 (0.43) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15212687 0.80 SLC26A4 (0.41) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15211374 0.80 POLB (0.45) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15211565 0.78 HDAC8 (0.46) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15211302 0.72 SLC26A4 (0.44) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL17431465 0.72 HDAC8 (0.44) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15220395 0.72 HDAC8 (0.46) POLBSLC26A4HDAC8FABP3FABP4
SCHEMBL15211226 0.72 HDAC8 (0.46) POLBSLC26A4HDAC8FABP3FABP4

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