SCHEMBL17050847

SCHEMBL17050847

CCC(=O)/C=C(\CC)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 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
SCHEMBL5806797 0.80 HCAR2 (0.43) ALDH1A1TSHRKEAP1NFE2L2HCAR2
SCHEMBL6439870 0.80
SCHEMBL15100257 0.80
SCHEMBL6439242 0.80 HCAR2 (0.43) ALDH1A1TSHRKEAP1NFE2L2HCAR2
SCHEMBL6439868 0.80
SCHEMBL6439871 0.80
SCHEMBL5806800 0.80 HCAR2 (0.43) ALDH1A1TSHRKEAP1NFE2L2HCAR2
SCHEMBL13144310 0.76 ALDH1A1 (0.37) ALDH1A1TSHRTDP1
SCHEMBL10878721 0.75 NPSR1 (0.52) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL10878727 0.75 NPSR1 (0.52) ALDH1A1KEAP1NFE2L2HCAR2

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-20150247034-A1 THERMOSETTING LIQUID-CRYSTAL POLYESTER COMPOSITION AND CURED PRODUCT THEREOF POLYPLASTICS CO., LTD. (JP) 2015-09-03 US disclosed