SCHEMBL1229326

SCHEMBL1229326

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
ALOX15 P16050 4/20 0.48
CYP2D6 P10635 1/20 0.48
PPARG P37231 7/20 0.47
F7 P08709 7/20 0.47
F3 P13726 7/20 0.47
PPARD Q03181 6/20 0.47
PPARA Q07869 6/20 0.47
CYP19A1 P11511 5/20 0.47
FFAR1 O14842 4/20 0.47
PTGS1 P23219 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL471839 0.87
SCHEMBL5606297 0.87
SCHEMBL12000570 0.84 F7 (0.67) ALDH1A1ALOX15PPARGF7F3
SCHEMBL466116 0.84 F7 (0.67) ALDH1A1ALOX15PPARGF7F3
SCHEMBL466115 0.84 F7 (0.67) ALDH1A1ALOX15PPARGF7F3
SCHEMBL29375098 0.83 MAPT (0.59) ALDH1A1ALOX15CYP2D6PPARGF7
SCHEMBL10931152 0.83 MAPT (0.59) ALDH1A1ALOX15CYP2D6PPARGF7
SCHEMBL10931160 0.83 MAPT (0.59) ALDH1A1ALOX15CYP2D6PPARGF7
SCHEMBL25318588 0.82 ALDH1A1 (0.68) ALDH1A1ALOX15PPARGF7F3
SCHEMBL2465250 0.82 ALDH1A1 (0.68) ALDH1A1ALOX15PPARGF7F3

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-20110033531-A1 Second Generation Fatty Acid Compositions, Formulations, and Methods of Use and Synthesis Thereof DRACOPHARMA, INC. (US) 2011-02-10 US disclosed