SCHEMBL13071309

SCHEMBL13071309

C/C=C/C(=O)CC(O)CC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL9726541 0.87 OXER1 (0.35) TSHRPOLBPOLA1
SCHEMBL9726544 0.87 OXER1 (0.35) TSHRPOLBPOLA1
SCHEMBL28243 0.81 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL11580988 0.76 KDM4E (0.33)
SCHEMBL10347529 0.75 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL28909844 0.75
SCHEMBL11551166 0.74 POLB (0.52) TSHRPOLBPOLA1HSD17B10MGAM
SCHEMBL2592556 0.74 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL8136448 0.74 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL15976653 0.73 MGAM (0.50) TSHRHSD17B10MGAMGAASI

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010131738-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 (JP) 2010-11-18 WO disclosed