SCHEMBL5050320

SCHEMBL5050320

CCCCCCC1C=CCC(CCCCC)C(C(=O)O)C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
DNTT P04053 1/20 0.36
S1PR3 Q99500 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 3/20 0.32

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
SCHEMBL8152351 0.84 ALOX5 (0.44) ALOX5S1PR3POLBALDH1A1L3MBTL1
SCHEMBL1196080 0.82 DNTT (0.44) ALOX5DNTTS1PR3ALDH1A1PPARG
SCHEMBL1196023 0.81 ALDH1A1 (0.46) ALOX5DNTTPOLBALDH1A1L3MBTL1
SCHEMBL11111218 0.79 ALOX5 (0.58) ALOX5ALDH1A1PPARG
SCHEMBL822309 0.77 ALOX5 (0.35) ALOX5DNTTALDH1A1
SCHEMBL29981020 0.77 POLB (0.44) DNTTPOLBALDH1A1
SCHEMBL3941543 0.77 ALOX5 (0.36) ALOX5POLBALDH1A1
SCHEMBL1196094 0.77 DNTT (0.36) ALOX5DNTTPOLBALDH1A1L3MBTL1
SCHEMBL11869827 0.76 DNTT (0.40) ALOX5DNTTS1PR3ALDH1A1PPARG
SCHEMBL1925051 0.76 ALOX5 (0.65) ALOX5S1PR3ALDH1A1PPARG

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-20080125555-A1 Catalyst for olefin polymerization and process for olefin polymerization MITSUI CHEMICALS, INC. (JP) 2008-05-29 US disclosed