SCHEMBL4147380

SCHEMBL4147380

C=CCOCC(CC)(CO)CO.CCC(CO)(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL111075 0.98 THRB (0.41) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL7788195 0.96 THRB (0.40) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL11116725 0.96 THRB (0.40) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL10821996 0.96 THRB (0.40) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL38755 0.94 THRB (0.41) THRBALDH1A1TP53CYP3A4MAPK1
Propane SCHEMBL2147543 0.92 THRB (0.40) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL38754 0.90 MEN1 (0.38) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL4147384 0.90 MEN1 (0.38) THRBALDH1A1TP53CYP3A4MAPK1
Butyl Alcohol SCHEMBL1562454 0.88 ALDH1A1 (0.37) THRBALDH1A1TP53CYP3A4MAPK1
Hydrochloric Acid SCHEMBL28795774 0.88 MEN1 (0.36) THRBALDH1A1TP53CYP3A4MAPK1

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-20090004397-A1 Water-Dilutable Stone Impact Protection Paint and Compensation Paint, Their Use and Process For Their Production BOLLIG & KEMPER KG (DE) 2009-01-01 US claimed