SCHEMBL7750573

SCHEMBL7750573

CCC=CCCCCC=CCC=CCCCCC(=O)O

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.96
PPARG P37231 8/20 0.96
F7 P08709 7/20 0.96
F3 P13726 7/20 0.96
CYP19A1 P11511 6/20 0.96
PPARD Q03181 6/20 0.96
PPARA Q07869 6/20 0.96
PTGS1 P23219 5/20 0.96
FFAR1 O14842 5/20 0.96
MAPT P10636 4/20 0.96
OXER1 Q8TDS5 4/20 0.96
KMT2A Q03164 3/20 0.96
L3MBTL1 Q9Y468 3/20 0.96
KDM4E B2RXH2 3/20 0.96
LMNA P02545 3/20 0.96
CYP3A4 P08684 3/20 0.96
HPGD P15428 3/20 0.96
ALOX15 P16050 3/20 0.96
HSD17B10 Q99714 3/20 0.96
TDP1 Q9NUW8 3/20 0.96

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
SCHEMBL606016 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL7750567 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL452559 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL454567 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL4452324 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL10444556 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL7755119 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL14119798 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL15994740 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL29226 1.00 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1

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
WO-2001046115-A1 UNSATURATED FATTY ACIDS AND THEIR USES IN THERAPY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-06-28 WO disclosed