SCHEMBL7036628

SCHEMBL7036628

C=CC=CC=CC(=O)OCC=C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
APP P05067 1/20 0.42
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 6/20 0.35
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7036625 1.00 MAPT (0.52) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL11325121 0.91 MAPT (0.55) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL11325124 0.91 MAPT (0.55) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL2945907 0.91 MAPT (0.59) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL2945906 0.91 MAPT (0.59) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL30924818 0.83 TSHR (0.46) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL36375 0.82 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL6885967 0.82 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL36139 0.82 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL36140 0.82 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414450-A1 (PYRIDINYL AND PYRIMIDYL)TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-05-06 EP claimed
WO-2003007950-A1 (PYRIDINYL AND PYRIMIDYL) TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-01-30 WO claimed
EP-1414450-A1 (PYRIDINYL AND PYRIMIDYL)TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-05-06 EP disclosed
WO-2003007950-A1 (PYRIDINYL AND PYRIMIDYL) TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-01-30 WO disclosed