SCHEMBL3517878

SCHEMBL3517878

CCCCC(C)C(C(=O)O)=C(C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.42
MAPK1 P28482 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
FDPS P14324 1/20 0.39
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL3517874 1.00 CA1 (0.45) CA1CA2MAPK1ACE2FDPS
SCHEMBL3516726 0.87 CHRM1 (0.41) CA1ACE2FDPSSLC1A3SLC1A2
SCHEMBL21436874 0.85 CA1 (0.57) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL21436875 0.85 CA1 (0.57) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL28323830 0.83 CA1 (0.55) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL10481806 0.82 CA1 (0.44) CA1CA2MAPK1ACE2FDPS
SCHEMBL8169390 0.80 CA1 (0.47) CA1CA2MAPK1ACE2FDPS
SCHEMBL10451985 0.80 CA1 (0.42) CA1CA2MAPK1ACE2FDPS
SCHEMBL3515517 0.78 ALDH1A1 (0.32) ACE2
SCHEMBL3515511 0.78 ALDH1A1 (0.32) ACE2

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
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed