SCHEMBL2467052

SCHEMBL2467052

CC(C)C(O)C(C)(C)CO.OCCCCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
Ethylene Glycol SCHEMBL28152293 0.88 TRPA1 (0.42) PTGS1KCNH2TRPA1ALDH1A1TSHR
Ethylene Glycol SCHEMBL2832859 0.88 TRPA1 (0.42) PTGS1KCNH2TRPA1ALDH1A1TSHR
SCHEMBL20721697 0.88 TRPA1 (0.45) PTGS1KCNH2TRPA1ALDH1A1TSHR
SCHEMBL19645 0.88 TRPA1 (0.45) PTGS1KCNH2TRPA1ALDH1A1TSHR
SCHEMBL17072023 0.88 TRPA1 (0.45) PTGS1KCNH2TRPA1ALDH1A1TSHR
1,4-Butanediol SCHEMBL28964157 0.86 PTGS1 (0.42) PTGS1KCNH2TRPA1
SCHEMBL10818718 0.85 TRPA1 (0.43) PTGS1KCNH2TRPA1ALDH1A1TSHR
Alcohol SCHEMBL6578240 0.83 TRPA1 (0.42) PTGS1KCNH2TRPA1ALDH1A1TSHR
SCHEMBL28072185 0.82 TSHR (0.35) PTGS1KCNH2TRPA1TSHR
Isobutanol SCHEMBL6152369 0.81 TSHR (0.45) PTGS1KCNH2TRPA1TSHR

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
EP-1484350-B1 Lightfast clear PUR lacquers BAYER MATERIALSCIENCE AG (DE) 2011-10-05 EP disclosed
EP-1484350-A2 Lightfast clear PUR lacquers Bayer MaterialScience AG (DE) 2004-12-08 EP disclosed