SCHEMBL27735907

SCHEMBL27735907

CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)C(C/C=C(\C)CCC=C(C)C)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
FNTA P49354 8/20 0.55
FNTB P49356 8/20 0.55
PGGT1B P53609 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
MEN1 O00255 1/20 0.44
TRPA1 O75762 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29797979 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL3959523 0.84 FNTA (0.68) ALDH1A1ALOX15FNTAFNTBMEN1
SCHEMBL3959518 0.84 FNTA (0.68) ALDH1A1ALOX15FNTAFNTBMEN1
SCHEMBL8838492 0.84 ALDH1A1 (0.54) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL28636755 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL3082247 0.82 FNTA (0.65) ALDH1A1ALOX15FNTAFNTBMEN1
SCHEMBL3082251 0.82 FNTA (0.65) ALDH1A1ALOX15FNTAFNTBMEN1
SCHEMBL31223706 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL18585902 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL4543245 0.79 ALDH1A1 (0.67) ALDH1A1ALOX15FNTAFNTBPGGT1B

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
CN-101404985-A Autoimmune conditions and NADPH oxidase defects BIOVITRUM AB PUBL (SE) 2009-04-08 CN disclosed