SCHEMBL13933338

SCHEMBL13933338

CCC(CO)(CO)COC(=O)C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL4186309 0.81 ALDH1A1 (0.38) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL3010343 0.79 ALDH1A1 (0.37) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL27165259 0.79 ALDH1A1 (0.37) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL1357290 0.78 MAPK1 (0.42) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL899906 0.77 ALDH1A1 (0.38) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL7081957 0.77 ALDH1A1 (0.38) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL7085097 0.77 MAPK1 (0.38) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL26548894 0.76 ALDH1A1 (0.35) HIF1AALDH1A1TP53CYP3A4MAPK1
Bicarbonate SCHEMBL10991903 0.76 MAPK1 (0.41) HIF1AALDH1A1TP53CYP3A4MAPK1
SCHEMBL2597461 0.76 TSHR (0.37) HIF1AALDH1A1CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491487-B2 Polymerizable composition and lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed
US-7491487-B2 Polymerizable composition and lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed