SCHEMBL6046415

SCHEMBL6046415

CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(=O)CCCCCCC(=O)OOOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGKA P23743 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL679714 0.89 DGKA (0.38) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL491916 0.89 DGKA (0.38) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL1845580 0.87 TSHR (0.37) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL10453272 0.85 DGKA (0.46) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL125563 0.84 DGKA (0.32) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL8031597 0.83 TSHR (0.42) TSHRALDH1A1HSD17B10TDP1DGKA
SCHEMBL125915 0.82 DGKA (0.50) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL2902869 0.82 DGKA (0.50) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL491917 0.82 TSHR (0.44) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL9566603 0.82 DGKA (0.50) TSHRLMNAALDH1A1HSD17B10TDP1

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-7153583-B2 Liquid silicone rubber coating composition and airbag SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-20040222618-A1 Liquid silicone rubber coating composition and airbag SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-11-11 US disclosed