SCHEMBL3840109

SCHEMBL3840109

CCC=CCC=CCC=CCC=CCC=CCC=CCC(OCC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
CYP19A1 P11511 4/20 0.43
PPARG P37231 4/20 0.43
OXER1 Q8TDS5 3/20 0.43
RXRA P19793 2/20 0.43
FFAR1 O14842 2/20 0.43
PPARA Q07869 7/20 0.42
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
PPARD Q03181 4/20 0.41
PTGS1 P23219 3/20 0.41
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 2/20 0.40
PTGS2 P35354 2/20 0.40
PGR P06401 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4450354 1.00 ALDH1A1 (0.43) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3834790 0.86 ALDH1A1 (0.41) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3834787 0.86 ALDH1A1 (0.41) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3834796 0.86 ALDH1A1 (0.41) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3226480 0.84 PTGS2 (0.46) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3226490 0.84 PTGS2 (0.46) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL441945 0.84 PTGS2 (0.46) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL4456986 0.84 ALDH1A1 (0.44) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3221779 0.83 ALDH1A1 (0.49) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL3215501 0.82 PTGS1 (0.45) ALDH1A1MAPTCYP19A1PPARGOXER1

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
EP-2094640-A1 ALPHA-SUBSTITUTED OMEGA-3 LIPIDS THAT ARE ACTIVATORS OR MODULATORS OF THE PEROXISOME PROLIFERATORS-ACTIVATED RECEPTOR (PPAR). Pronova BioPharma Norge AS (NO) 2009-09-02 EP disclosed
WO-2008053331-A1 ALPHA-SUBSTITUTED OMEGA-3 LIPIDS THAT ARE ACTIVATORS OR MODULATORS OF THE PEROXISOME PROLIFERATORS-ACTIVATED RECEPTOR (PPAR). PRONOVA BIOPHARMA NORGE A/S (SE) 2008-05-08 WO disclosed