SCHEMBL4895562

SCHEMBL4895562

CCC(CO)CCCC(CC)CCO

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
LMNA P02545 2/20 0.48
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 3/20 0.36
THRB P10828 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL50322 0.92
SCHEMBL8758088 0.92
SCHEMBL4890837 0.87 ALDH1A1 (0.65) ALDH1A1LMNACA2TDP1TSHR
1,5-Pentanediol SCHEMBL28072183 0.87 ALDH1A1 (0.58) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL964900 0.86
SCHEMBL7074611 0.86 ALDH1A1 (0.78) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL4454229 0.86 ALDH1A1 (0.78) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL4892117 0.86 ALDH1A1 (0.79) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL10358965 0.85 ALDH1A1 (0.62) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL28176 0.84 ALDH1A1 (0.68) ALDH1A1LMNACA2TDP1TSHR

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 2 patents. 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
EP-1467863-B1 USE OF POLYHYDROXY FUNCTIONALIZED ALKANES AS ADHESION PROMOTERS IN COMPOSITES CONSISTING OF A COATING, GLUED LAYER AND COMPOSITE GLASS PANEL, IN ADDITION TO COMPOSITES OF THIS TYPE, A METHOD FOR THEIR PRODUCTION AND THE USE THEREOF BASF COATINGS AG (DE) 2006-01-11 EP claimed