SCHEMBL4432705

SCHEMBL4432705

NC(=O)OS(=O)(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
POLB P06746 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
SCHEMBL4601476 0.81 CA1 (0.42) SMN1; SMN2TSHRL3MBTL1MAPK1POLB
SCHEMBL7313667 0.80 CA12 (0.46) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL4434712 0.79 CA1 (0.46) SMN1; SMN2TSHRL3MBTL1KDM4EMAPK1
SCHEMBL4532361 0.76 HTT (0.35) SMN1; SMN2L3MBTL1LMNA
SCHEMBL28084234 0.71 LMNA (0.55) SMN1; SMN2LMNAPOLB
SCHEMBL28238995 0.71 HSD11B1 (0.40) SMN1; SMN2LMNAPOLB
SCHEMBL13968028 0.70 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL21423124 0.70 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL28504878 0.69 NAMPT (0.31) POLB
SCHEMBL28578134 0.69 ALDH1A1 (0.33) SMN1; SMN2TDP1POLB

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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed