SCHEMBL27708477

SCHEMBL27708477

CC(=CC(=O)OCC(C)(C)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9240786 0.83 ALOX15 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30354572 0.83 ALOX15 (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28547591 0.81 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2022882 0.80
SCHEMBL11789212 0.77 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL27576864 0.76 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11805690 0.74 HCAR2 (0.53) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27725661 0.74
SCHEMBL3627793 0.74 HCAR2 (0.53) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL230726 0.73 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-101131511-A Polymer having unsaturated side chain, radiation-sensitive resin composition and spacer for liquid crystal display element JSR CORP (JP) 2008-02-27 CN disclosed