SCHEMBL15212687

SCHEMBL15212687

CC(=O)Oc1c(C)oc2cc(OCc3ccc(Cl)cc3Cl)c(-c3cnn(C)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
PTGER1 P34995 6/20 0.37
KIT P10721 2/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
INPPL1 O15357 1/20 0.35
MET P08581 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
LMNA P02545 1/20 0.34
HAT1 O14929 1/20 0.33
EP300 Q09472 1/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33

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 0.80 POLB (0.48) SLC26A4POLBSMN1; SMN2PTGER1FABP3
SCHEMBL15211265 0.78 SLC26A4 (0.46) SLC26A4POLBSMN1; SMN2PTGER1FABP3
SCHEMBL17431434 0.78 PPARD (0.42) SLC26A4POLBSMN1; SMN2HPGDPTGER1
SCHEMBL15212688 0.77 KIT (0.39) POLBSMN1; SMN2HPGDPTGER1KIT
SCHEMBL17431412 0.76 HAT1 (0.37) SLC26A4POLBSMN1; SMN2HPGDPTGER1
SCHEMBL15211549 0.75 SLC26A4 (0.61) SLC26A4POLBHPGD
SCHEMBL15211565 0.71 HDAC8 (0.46) SLC26A4POLBSMN1; SMN2HPGDPTGER1
SCHEMBL15211602 0.71 HDAC8 (0.40) SLC26A4POLBSMN1; SMN2PTGER1FABP3
SCHEMBL15211374 0.68 POLB (0.45) SLC26A4POLBSMN1; SMN2PTGER1FABP3
SCHEMBL15212722 0.68 HTT (0.43) SLC26A4POLBSMN1; SMN2PTGER1FABP3

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