SCHEMBL4601672

SCHEMBL4601672

C=CC(=O)Oc1c(OCCOC)cccc1OCC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN9A Q15858 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
DRD4 P21917 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL4601033 0.84 EGFR (0.44) EGFRTHRB
SCHEMBL4600070 0.83 EGFR (0.42) EGFRSCN9A
SCHEMBL4602061 0.79 PDE4B (0.42) EGFRALDH1A1
SCHEMBL27716314 0.76 MAPT (0.42) SMN1; SMN2MAPTALOX15HSD17B10SCN9A
SCHEMBL4601711 0.76 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRHPGDRAB9A
SCHEMBL4601601 0.75 EGFR (0.47) SMN1; SMN2MAPTEGFRTHRBALDH1A1
SCHEMBL4600130 0.74 EGFR (0.47) SMN1; SMN2EGFRTHRBALDH1A1TSHR
SCHEMBL4601430 0.74 SCN9A (0.38) SMN1; SMN2MAPTSCN9APOLBALDH1A1
SCHEMBL4602183 0.74 EGFR (0.47) MAPTEGFRTHRBL3MBTL1NPC1
SCHEMBL27716267 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALOX15NPSR1HSD17B10

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