SCHEMBL4887788

SCHEMBL4887788

CCCCC(CC)C(O)(CC)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
ALDH1A1 P00352 2/20 0.34
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29222454 0.86 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL29174052 0.76 SPHK1 (0.44) FDPSSPHK1
SCHEMBL5483323 0.74 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL17559999 0.74 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL10813394 0.73 CA2 (0.36) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL28367268 0.73 FDPS (0.47) FDPSALDH1A1CA2MAPK1CA1
Hydrochloric Acid SCHEMBL29015267 0.72 FDPS (0.42) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL27907659 0.72 FDPS (0.42) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL16074875 0.72 TSHR (0.39) ALDH1A1TDP1
SCHEMBL4890998 0.72 ALDH1A1 (0.34) FDPSALDH1A1CA2MAPK1CA1

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed