SCHEMBL19996989

SCHEMBL19996989

CC(C)CC(CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.65
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACE2 Q9BYF1 2/20 0.49
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49
HSD17B10 Q99714 1/20 0.48
CTSK P43235 2/20 0.48
MMP9 P14780 1/20 0.45

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
SCHEMBL7864470 1.00 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ACE2
SCHEMBL27556472 0.91 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1HSD17B10
SCHEMBL27556474 0.91 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1HSD17B10
SCHEMBL111390 0.84 ALDH1A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL16568776 0.83 SLC15A1 (0.72) SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL6576006 0.82 HSD17B10 (0.52) SLC15A1ALDH1A1HSD17B10CTSK
Hydrochloric Acid SCHEMBL28176642 0.82 ALDH1A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL27674121 0.82 ALDH1A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL12369646 0.81 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL4900863 0.81 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9

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
US-9925204-B2 Anti-inflammatory compounds in combination with hydrogen for the treatment of inflammation KAWAI TOSHIHISA (US) 2018-03-27 US disclosed