SCHEMBL9862196

SCHEMBL9862196

C=CC(=O)OC(C)(C(=O)O)C(=O)OC(=O)CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 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
SCHEMBL10716844 0.80 TSHR (0.35) TSHRHPGDALDH1A1THRBTP53
SCHEMBL2521080 0.73 ALDH1A1 (0.34) TSHRHPGDALDH1A1THRBTP53
SCHEMBL17733123 0.72 TSHR (0.37) TSHRHPGDALDH1A1THRBTP53
SCHEMBL466312 0.71
Propionic Acid SCHEMBL5997033 0.71 FFAR3 (0.42) TSHRHPGDALDH1A1THRBTP53
SCHEMBL7192242 0.69 TSHR (0.46) TSHRHPGDALDH1A1THRBTP53
SCHEMBL1148669 0.69 TSHR (0.46) TSHRHPGDALDH1A1THRBTP53
SCHEMBL7192231 0.69 TSHR (0.46) TSHRHPGDALDH1A1THRBTP53
SCHEMBL7189835 0.69 TSHR (0.46) TSHRHPGDALDH1A1THRBTP53
SCHEMBL28093702 0.69 THRB (0.40) TSHRHPGDALDH1A1THRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070121-A CORROSION RESISTANCE, WEAR RESISTANCE, PROTECTIVE FILMS HAVING BARRIER PROPERTIES SCHMALBACH LUBECA AG (DE) 1991-12-03 US disclosed