SCHEMBL28217432

SCHEMBL28217432

CCCCC(C)(C)CO.CCCCC(C)C(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
FDPS P14324 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
SCHEMBL62008 0.84 CA2 (0.39) ALDH1A1CA2MAPK1FDPS
SCHEMBL27943155 0.82 CA2 (0.38) ALDH1A1CA2MAPK1FDPS
SCHEMBL887744 0.79
SCHEMBL1877951 0.78 OPRM1 (0.44) CA2FDPS
Nonanol SCHEMBL12818586 0.77 LMNA (0.52) ALDH1A1CA2FDPS
SCHEMBL18860779 0.77 FDPS (0.35) ALDH1A1CA2FDPS
SCHEMBL61071 0.76 SPHK1 (0.45) CA2FDPS
SCHEMBL4992968 0.76 SPHK1 (0.45) CA2FDPS
SCHEMBL1684935 0.76 SPHK1 (0.45) CA2FDPS
SCHEMBL5922595 0.76 SPHK1 (0.45) CA2FDPS

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
CN-105143394-B Resin composition, injection agent, and filling method 住友电木株式会社 2018-05-29 CN disclosed