SCHEMBL8900311

SCHEMBL8900311

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 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
SCHEMBL9096742 1.00 TSHR (0.32) TSHRALDH1A1ALOX15RECQLHSD17B10
Bicarbonate SCHEMBL8900312 0.76 ALDH1A1 (0.42) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL15842404 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL15842403 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23255851 0.71 FFAR3 (0.35) TSHRALDH1A1RECQL
SCHEMBL8161329 0.71 FFAR3 (0.35) TSHRALDH1A1RECQL
SCHEMBL1683511 0.71 FFAR3 (0.35) TSHRALDH1A1RECQL
SCHEMBL7794325 0.70 ALDH1A1 (0.50) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL1270866 0.69 TSHR (0.30) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL1270865 0.69 TSHR (0.30) TSHRALDH1A1ALOX15RECQLHSD17B10

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-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed