SCHEMBL13567320

SCHEMBL13567320

C=C(C)C(=O)OCCOC(=O)c1ccc2cc(C)cc(O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SERPINE1 P05121 2/20 0.38
ESR1 P03372 3/20 0.37
HSD17B2 P37059 1/20 0.36
LCK P06239 1/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL13577788 0.89 ESR1 (0.41) CA1CA2CA12CA7CA9
SCHEMBL18906124 0.81 LCK (0.59) CA1CA2CA12CA7CA9
SCHEMBL18906123 0.81 POLB (0.46) CA1CA2CA12CA7CA9
SCHEMBL13567308 0.79 CA1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL18906152 0.79 LCK (0.40) CA1CA2CA12CA7CA9
SCHEMBL838089 0.79 CA12 (0.59) CA1CA2CA12CA7CA9
SCHEMBL4074960 0.78 CA12 (0.55) CA1CA2CA12CA7CA9
SCHEMBL10040394 0.78 TDP1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL14001889 0.78 POLB (0.48) CA1CA2POLBTDP1APEX1
SCHEMBL12725802 0.77 CA1 (0.54) CA1CA2CA12CA7CA9

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-20090311494-A1 RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE, AND PROCESS FOR PRODUCING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2009-12-17 US disclosed