SCHEMBL4601250

SCHEMBL4601250

COc1ccc(CNS(=O)(=O)c2ccc(C)cc2CC(OC)OC)c(Oc2cccc(C(OC)N(CC(OC)OC)S(=O)(=O)c3ccc(C)cc3)c2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 7/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NFE2L2 Q16236 1/20 0.32
PTGER1 P34995 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
BMP1 P13497 1/20 0.31

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
SCHEMBL4601251 0.83 BMP1 (0.35) TP53MEN1KMT2APTGER1MAPT
SCHEMBL4600615 0.81 ALDH1A1 (0.36) TP53PTGER1MAPTALDH1A1MAPK1
SCHEMBL10921438 0.66 TAS2R14 (0.43) KEAP1TP53MEN1KMT2ANFE2L2
SCHEMBL3218808 0.64 ALDH1A1 (0.43) TP53PTGER1MAPTALDH1A1MAPK1
SCHEMBL15495285 0.61 BMP1 (0.43) MEN1KMT2APTGER1MAPTALDH1A1
SCHEMBL4493208 0.58 MEN1 (0.49) TP53MEN1KMT2AMAPTALDH1A1
SCHEMBL6769019 0.56 TAS2R14 (0.58) MAPTALDH1A1POLBGAAPKM
SCHEMBL16204380 0.56 CNR2 (0.46) TP53MAPT
SCHEMBL16197374 0.56 CNR2 (0.46) TP53MAPT
SCHEMBL14586659 0.55 AGER (0.42) KEAP1MEN1KMT2ANFE2L2MAPT

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