SCHEMBL4891064

SCHEMBL4891064

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TRPA1 O75762 1/20 0.39
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4887860 0.83 ALDH1A1 (0.35) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL4885201 0.83 ALDH1A1 (0.45) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL2078523 0.80 ALDH1A1 (0.50) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL7765954 0.80 THRB (0.46) ALDH1A1TSHRLMNATDP1
SCHEMBL19348914 0.80 ALDH1A1 (0.54) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL2771436 0.78 TSHR (0.36) ALDH1A1TSHR
SCHEMBL7625642 0.78 TSHR (0.36) TSHR
SCHEMBL4891774 0.77 ALDH1A1 (0.44) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL6700273 0.77 ALDH1A1 (0.44) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL424120 0.77 ALDH1A1 (0.44) ALDH1A1TRPA1TSHRLMNATDP1

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