SCHEMBL4887829

SCHEMBL4887829

CCCCCC(CC)C(O)(CC)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.43
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33
OPRM1 P35372 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29282631 0.88 FDPS (0.50) FDPSLMNACYP2D6SPHK1GMNN
SCHEMBL5483323 0.83 FDPS (0.44) FDPSALDH1A1CYP3A4SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL29015267 0.81 FDPS (0.42) FDPSALDH1A1CYP3A4SMN1; SMN2CA1
SCHEMBL27907659 0.81 FDPS (0.42) FDPSALDH1A1CYP3A4SMN1; SMN2CA1
SCHEMBL9136453 0.81 FDPS (0.52) FDPSLMNAALDH1A1CYP2D6SPHK1
SCHEMBL29174001 0.81 FDPS (0.44) FDPSLMNACYP2D6SPHK1GMNN
SCHEMBL4883951 0.79 SMN1; SMN2 (0.35) FDPSLMNAALDH1A1SMN1; SMN2
SCHEMBL4891440 0.78 FDPS (0.38) FDPSLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL18989252 0.78 LMNA (0.50) FDPSLMNAALDH1A1CYP2D6SPHK1
SCHEMBL22638751 0.77 FDPS (0.47) FDPSLMNAALDH1A1SPHK1BLM

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