SCHEMBL3766817

SCHEMBL3766817

C=C(C(=O)O)C(CCCC)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 5/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 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
SCHEMBL3261112 0.81 CA2 (0.56) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL465439 0.81 GPR84 (0.46) CA2CA1SLC1A2SLC1A1ACE2
SCHEMBL1672001 0.79 CA1 (0.47) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL406135 0.79 CA2 (0.52) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL28033021 0.79 SLC1A3 (0.35) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL7736024 0.78 CA2 (0.44) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL19210067 0.78 CA2 (0.41) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL4946235 0.78 CA2 (0.63) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8412345 0.78 CA2 (0.52) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL11151367 0.77 CA2 (0.47) CA2MAPK1CA1SLC1A3SLC1A2

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-20100310857-A1 Inorganic-polymer composite material, adhesive layer, and adhesive film NITTO DENKO CORPORATION (JP) 2010-12-09 US disclosed