SCHEMBL13953708

SCHEMBL13953708

C=CCCCC(CO)(COCC=C)COCC=C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL30585149 0.84 TSHR (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL109961 0.82 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL150749 0.82 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL21244 0.82 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7713188 0.80 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL25410498 0.80 MAPT (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30517291 0.80 MAPT (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1354241 0.79 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18480664 0.79 CA1 (0.31)
SCHEMBL13818867 0.78 TSHR (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-2009025924-A2 ANCHORED POLYSILOXANE-MODIFIED POLYURETHANE COATINGS AND USES THEREOF NDSU RESEARCH FOUNDATION (US) 2009-02-26 WO disclosed