SCHEMBL8775561

SCHEMBL8775561

C=CCOCC(=O)OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
PAM P19021 3/20 0.37
TSHR P16473 4/20 0.35
PTGS1 P23219 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 3/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30

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
SCHEMBL5873282 0.85 TDP1 (0.61) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL238623 0.84
SCHEMBL11829533 0.83 TDP1 (0.56) TDP1TSHRPTGS1CYP3A4PKM
SCHEMBL8063306 0.83 TDP1 (0.59) TDP1TSHRCYP3A4PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL11313915 0.82
SCHEMBL2600792 0.79 PAM (0.46) TDP1PAMTSHRPTGS1CTH
SCHEMBL1471358 0.79 TDP1 (0.51) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3430807 0.78 TDP1 (0.63) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL6360573 0.77 PAM (0.45) TDP1PAMTSHRPTGS1CTH
SCHEMBL15234311 0.76 ALDH1A1 (0.44) TDP1PAMTSHRMAPTCTH

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-0804430-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-11-05 EP disclosed
US-5656662-A TREATING OR PREVENTING ATHEROSCLEROTIC DISORDERS, INHIBITING INFLAMMATORY CYTOKINES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-08-12 US disclosed
WO-1995032194-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-11-30 WO disclosed