SCHEMBL2321648

SCHEMBL2321648

CC(CCO)CC(O)CC(O)CC(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
THRB P10828 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
SCHEMBL19639872 0.82 TRPA1 (0.37) TRPA1ALDH1A1ALOX15THRB
SCHEMBL7251071 0.77 ALOX15 (0.38) TRPA1ALDH1A1ALOX15
SCHEMBL11380698 0.77 THRB (0.46) ALDH1A1THRB
Hexylene Glycol SCHEMBL2321644 0.75 ALOX15 (0.39) TRPA1ALDH1A1ALOX15
SCHEMBL7776801 0.74 LMNA (0.48) TRPA1ALDH1A1ALOX15THRB
SCHEMBL25415538 0.73 USP2 (0.38) ALDH1A1
SCHEMBL19493225 0.72 THRB (0.52) TRPA1ALDH1A1ALOX15THRB
SCHEMBL13619350 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11690439 0.71 THRB (0.36) THRB
SCHEMBL10749811 0.70 LMNA (0.34)

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-20130222501-A1 IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2013-08-29 US disclosed
US-20110189489-A1 LAMINATED POLYESTER FILM MITSUBISHI PLASTICS, INC. (JP) 2011-08-04 US disclosed