SCHEMBL4890375

SCHEMBL4890375

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TRPA1 O75762 1/20 0.41
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL427001 0.88 ALDH1A1 (0.54) ALDH1A1TRPA1TSHRTDP1LMNA
SCHEMBL4881462 0.84 ALDH1A1 (0.50) ALDH1A1TRPA1TSHRTDP1LMNA
SCHEMBL27414879 0.80
SCHEMBL8371932 0.80 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL8371931 0.80 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL246160 0.80 ALDH1A1 (0.52) ALDH1A1TRPA1TSHRTDP1LMNA
SCHEMBL28368639 0.79 ALDH1A1 (0.44) ALDH1A1TRPA1TSHRLMNA
SCHEMBL14973793 0.78 ALDH1A1 (0.48) ALDH1A1TRPA1TSHRLMNA
SCHEMBL9172052 0.78 ALDH1A1 (0.54) ALDH1A1TRPA1TSHRTDP1LMNA
SCHEMBL11316919 0.78 TSHR (0.50) ALDH1A1TRPA1TSHRTDP1

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