SCHEMBL4601426

SCHEMBL4601426

CCCN(C(=O)O)S(=O)(=O)NCCC(OC)c1ccc(OCCOC)cc1OCC1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
SCN9A Q15858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
GLA P06280 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
SCHEMBL4602506 0.89 MMP2 (0.33)
SCHEMBL3218749 0.81 PPARG (0.39) RAB9ASCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL4601059 0.80 NPC1 (0.38) RAB9ASCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL4602937 0.74 RAB9A (0.39) RAB9ASCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL4601430 0.73 SCN9A (0.38) RAB9ASCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL3218634 0.69 CNR2 (0.45) MEN1KMT2AALDH1A1
SCHEMBL3204951 0.68 FFAR1 (0.54) RAB9ASCN9ASMN1; SMN2NPC1CASP3
SCHEMBL4601061 0.68 POLB (0.39) RAB9ASCN9AHPGDNPC1ALDH1A1
SCHEMBL3209900 0.67 MAPT (0.55) RAB9ASCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL3209916 0.67 MAPT (0.55) RAB9ASCN9AMEN1KMT2ASMN1; SMN2

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