SCHEMBL4601251

SCHEMBL4601251

COc1ccc(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)c(Oc2cccc(C(OC)N(CC(OC)OC)S(=O)(=O)c3ccc(C)cc3)c2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGER1 P34995 2/20 0.32

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
SCHEMBL3218808 0.80 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MAPK1
SCHEMBL15495285 0.77 BMP1 (0.43) BMP1ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL10921438 0.71 TAS2R14 (0.43) BMP1ALDH1A1LMNATP53MAPT
SCHEMBL6769019 0.70 TAS2R14 (0.58) ALDH1A1LMNAMAPTTAS2R14GAA
SCHEMBL4600615 0.69 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2MAPK1
SCHEMBL15056437 0.69 TAS2R14 (0.40) BMP1ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL31551717 0.68 LMNA (0.38) BMP1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL23458589 0.67 GBA1 (0.40) ALDH1A1KDM4E
SCHEMBL17981098 0.67 RORC (0.44) ALDH1A1TP53MAPTTHRBTAS2R14
SCHEMBL10688252 0.67 MEN1 (0.42) ALDH1A1LMNASMN1; SMN2MAPTKDM4E

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP claimed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO claimed