SCHEMBL28068802

SCHEMBL28068802

C=CC(=O)OCOC(C)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.55
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 3/20 0.37

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
SCHEMBL2425102 0.85 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15136058 0.82 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18419982 0.82 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15493537 0.80 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5965104 0.80 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21341269 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21768581 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20193649 0.77 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268400 0.77 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL33585 0.76

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
CN-105555382-A Non-hemolyzing blood filter and methods for filtering blood without hemolysis PERLSTEIN ALAN 2016-05-04 CN disclosed