SCHEMBL4601430

SCHEMBL4601430

CCCN(C(=O)Oc1c(OCCOC)cccc1OCC1CCCO1)S(=O)(=O)NCCCOC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 3/20 0.35
RECQL P46063 1/20 0.35
CNR2 P34972 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4602508 0.88 PDE4A (0.40) SMN1; SMN2MAPK1MEN1KMT2AALDH1A1
SCHEMBL4601061 0.87 POLB (0.39) SCN9ARAB9AMAPTNPC1CNR2
SCHEMBL4601672 0.74 SMN1; SMN2 (0.41) SCN9ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3218749 0.73 PPARG (0.39) SCN9ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL4601426 0.73 RAB9A (0.39) SCN9ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL4601015 0.72 BCHE (0.36) TSHRLMNA
SCHEMBL4600575 0.68 PPARG (0.40) SCN9A
SCHEMBL27716314 0.67 MAPT (0.42) SCN9ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL27716267 0.65 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2MAPTNPC1CNR2
SCHEMBL4601910 0.65 PPARG (0.45) SMN1; SMN2ALDH1A1HPGDLMNA

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