SCHEMBL28079097

SCHEMBL28079097

C=CC(=O)C(O)COCCC(C)CCOCC(O)C(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL7748377 0.80 TSHR (0.38) TSHRHSD17B10ALDH1A1TP53HIF1A
SCHEMBL6347267 0.78 TSHR (0.41) TSHRTDP1HSD17B10ALDH1A1TP53
SCHEMBL2473565 0.77 TSHR (0.33) TSHRHSD17B10ALDH1A1TP53HIF1A
SCHEMBL28283997 0.71 TSHR (0.39) TSHRALDH1A1
SCHEMBL28877041 0.69 TSHR (0.35) TSHR
SCHEMBL27451439 0.69 CA1 (0.38) TSHRALDH1A1
SCHEMBL16671952 0.69 TSHR (0.31) TSHR
SCHEMBL28032951 0.68 TSHR (0.33) TSHRALDH1A1
SCHEMBL9103359 0.68 TSHR (0.57) TSHRTDP1HSD17B10ALOX15ALDH1A1
SCHEMBL9575274 0.67

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
CN-105759567-A Coloring photosensitive resin composition, colorful optical filter, and image display device 东友精细化工有限公司 2016-07-13 CN disclosed