SCHEMBL1769445

SCHEMBL1769445

CCCCC(OC(=O)O)C(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.41
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 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
SCHEMBL28456703 0.91 CA2 (0.41) CA2MAPK1CA1GPR84FFAR1
SCHEMBL2516490 0.89 GPR84 (0.43) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL609476 0.82 CA2 (0.42) CA2MAPK1CA1CTSKGPR84
SCHEMBL17911304 0.80 CYP3A4 (0.42) CA2MAPK1CA1TSHRCYP3A4
SCHEMBL2029744 0.80 MAPT (0.42) CA2MAPK1CA1CTSKGPR84
SCHEMBL6370566 0.80 CA2 (0.41) CA2MAPK1CA1CTSKGPR84
SCHEMBL8717721 0.78 CA2 (0.44) CA2MAPK1CA1TSHRCYP3A4
SCHEMBL2516488 0.76 CA2 (0.42) CA2CA1GPR84FFAR1MAPT
SCHEMBL38664452 0.76 GPR84 (0.40) CA2MAPK1CA1GPR84FFAR1
SCHEMBL5185206 0.76 CA2 (0.41) CA2MAPK1CA1TSHRCYP3A4

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-2011061672-A1 MIXTURE OF HYDROCARBON SOLVENTS L'OREAL (FR) 2011-05-26 WO disclosed