SCHEMBL6554082

SCHEMBL6554082

CCOCCOCC(C)O[C]=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
SCHEMBL9633213 0.89
SCHEMBL4396261 0.75 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL8462459 0.75
SCHEMBL8462456 0.75
SCHEMBL534089 0.73 TDP1 (0.48) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27625757 0.73 TDP1 (0.39) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL25779313 0.73 TDP1 (0.48) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL13902862 0.71 TDP1 (0.42) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27625717 0.71 TDP1 (0.38) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL8918946 0.71 TSHR (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed