SCHEMBL13630760

SCHEMBL13630760

C=CC(=O)OCC(C)(C)C(=O)OC1CC2C(=O)OC(C)C2O1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL13630628 0.82
SCHEMBL13630763 0.81 TSHR (0.38)
SCHEMBL13616595 0.79 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13630761 0.74
SCHEMBL13630443 0.71
SCHEMBL14509340 0.69 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8957437 0.64 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13616600 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13103682 0.64
SCHEMBL14489377 0.63 TSHR (0.33) ALDH1A1CYP3A4

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-20090286937-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-19 US disclosed