SCHEMBL4602937

SCHEMBL4602937

CCCN(CCC(CC)c1ccc(OCCOC)cc1OCC1CCCO1)S(=O)(=O)OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.37
SCN9A Q15858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
GPR84 Q9NQS5 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 3/20 0.34
APP P05067 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 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
SCHEMBL4601426 0.74 RAB9A (0.39) RAB9ANPC1SCN9AMEN1KMT2A
SCHEMBL3204951 0.66 FFAR1 (0.54) RAB9ANPC1SCN9ACASP3SENP7
SCHEMBL4601059 0.66 NPC1 (0.38) RAB9ANPC1SCN9AMEN1KMT2A
SCHEMBL3209900 0.66 MAPT (0.55) RAB9ANPC1SCN9AMEN1KMT2A
SCHEMBL3209916 0.66 MAPT (0.55) RAB9ANPC1SCN9AMEN1KMT2A
SCHEMBL3213941 0.66 FFAR1 (0.43) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL3218749 0.65 PPARG (0.39) RAB9ANPC1SCN9AMEN1KMT2A
SCHEMBL27716315 0.65 MAPT (0.52) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL3202441 0.65 PPARG (0.56) SCN9A
SCHEMBL3219692 0.64 RAB9A (0.41) RAB9ANPC1SCN9ACASP3SENP7

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 disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed