SCHEMBL6137545

SCHEMBL6137545

C=C(C)C(=O)O/C(C)=C\C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.35

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
SCHEMBL6137551 1.00 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27738821 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27987124 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL28423149 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL20993733 0.81 THRB (0.53) ALDH1A1TSHRTDP1THRB
SCHEMBL15963 0.80 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL28170047 0.80 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27493500 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL722225 0.78
Hydrochloric Acid SCHEMBL17099626 0.77 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB

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