SCHEMBL4891774

SCHEMBL4891774

CCC(CC)CC(O)CC(CC)CO

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.42
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6700273 0.89 ALDH1A1 (0.44) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL424120 0.89 ALDH1A1 (0.44) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL17464871 0.87 TRPA1 (0.42) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL16949688 0.86 LMNA (0.44) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL236592 0.85 ALDH1A1 (0.50) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL4889220 0.84 ALDH1A1 (0.41) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL19492878 0.82 ALDH1A1 (0.42) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL2078523 0.82 ALDH1A1 (0.50) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL246160 0.82 ALDH1A1 (0.52) ALDH1A1TRPA1LMNATDP1TSHR
SCHEMBL706186 0.82 ALDH1A1 (0.52) ALDH1A1TRPA1LMNATDP1TSHR

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