SCHEMBL6137526

SCHEMBL6137526

C=C(C)C(=O)OC(C)=CCC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
THRB P10828 1/20 0.39
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL6137522 1.00 ALDH1A1 (0.41) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL11867709 0.83 TSHR (0.40) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL11867703 0.83 TSHR (0.40) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL5075300 0.83 ALDH1A1 (0.41) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL3345135 0.81 ALDH1A1 (0.39) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL472709 0.81 ALDH1A1 (0.39) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL472712 0.81 ALDH1A1 (0.39) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL10500063 0.79 THRB (0.41) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL10500077 0.79 THRB (0.41) ALDH1A1THRBTSHRTDP1HSD17B10
SCHEMBL6552881 0.79 ALDH1A1 (0.38) ALDH1A1THRBTSHRTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103574-B1 Emulsions and process of preparing emulsions and oily compositions DOW CORNING TORAY SILICONE (JP) 2005-01-12 EP disclosed
US-6388005-B1 CROSSLINKED PARTICLES IN DROPS OF SILICONE OIL DOW CORNING TORAY SILICONE CO., LTD. (JP) 2002-05-14 US disclosed
EP-1103574-A1 Emulsions and process of preparing emulsions and oily compositions Dow Corning Toray Silicone Co., Ltd. (JP) 2001-05-30 EP disclosed