SCHEMBL16248453

SCHEMBL16248453

CC(C)C(=O)OCC(O)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SLC1A1 P43005 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
CA4 P22748 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
RGS12 O14924 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL16250356 0.86 ALDH1A1 (0.61) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.83 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL28625596 0.83 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL28625595 0.83 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL11657250 0.81 CA1 (0.53) CA1CA2CA7CA9MAPK1
SCHEMBL112859 0.79 ALDH1A1 (0.64) MAPK1KMT2AALDH1A1TSHRNPC1
SCHEMBL21985401 0.79 ALDH1A1 (0.47) CA1CA2CA7CA9MAPK1
SCHEMBL8191319 0.79 CA1 (0.54) CA1CA2CA7CA9MAPK1
SCHEMBL31390773 0.79 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL13538119 0.79 ALDH1A1 (0.50) MAPK1KMT2AALDH1A1TSHR

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-20140338550-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER-ENGRAVABLE AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed