SCHEMBL7862299

SCHEMBL7862299

C=Cc1cccc(C(C)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 1/20 0.42
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC4 P56524 1/20 0.33
AOC3 Q16853 5/20 0.32
CHRM5 P08912 1/20 0.31
APP P05067 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
SCHEMBL29162692 0.87 TP53 (0.48) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL911023 0.80 TP53 (0.54) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL593657 0.80 TP53 (0.54) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL32671494 0.80 TP53 (0.54) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL7901293 0.80 HDAC4 (0.41) TP53TDP1PTGS2ALDH1A1CYP3A4
SCHEMBL16956344 0.79 TP53 (0.52) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL1645654 0.79 TP53 (0.52) TP53TDP1PTGS2TRPA1ALDH1A1
Methane SCHEMBL11026004 0.79 TP53 (0.52) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL6035255 0.79 TP53 (0.52) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL14635005 0.79 TP53 (0.52) TP53TDP1PTGS2TRPA1ALDH1A1

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
US-6299785-B1 Electrode formation process JSR CORPORATION (JP) 2001-10-09 US disclosed
US-4935559-A Palladium catalyst EASTMAN KODAK COMPANY (US) 1990-06-19 US disclosed