SCHEMBL213337

SCHEMBL213337

OB(O)c1ccc(-c2ccc(C(c3ccc(-c4ccc(B(O)O)cc4)cc3)(c3ccc(-c4ccc(B(O)O)cc4)cc3)c3ccc(-c4ccc(B(O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.58
CA1 P00915 3/20 0.58
MGLL Q99685 2/20 0.58
ENPP2 Q13822 5/20 0.46
TRPV1 Q8NER1 4/20 0.44
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
TSHR P16473 1/20 0.44
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL214782 0.92 MGLL (0.64) CA2CA1MGLLENPP2TRPV1
SCHEMBL470006 0.89 CA2 (0.64) CA2CA1MGLLENPP2TRPV1
SCHEMBL28120485 0.86 TRPV1 (0.59) CA2CA1MGLLENPP2TRPV1
SCHEMBL257878 0.86 TRPV1 (0.59) CA2CA1MGLLENPP2TRPV1
SCHEMBL18394607 0.84 CA2 (0.78) CA2CA1MGLLENPP2LPL
SCHEMBL13667445 0.84 CA2 (0.78) CA2CA1MGLLENPP2LPL
SCHEMBL806835 0.84 CA2 (0.78) CA2CA1MGLLENPP2LPL
SCHEMBL13511082 0.83 ENPP2 (0.59) CA2CA1MGLLENPP2TRPV1
SCHEMBL13018298 0.82 CA2 (0.41) CA2CA1MGLLENPP2TRPV1
SCHEMBL16547260 0.81 MGLL (0.52) CA2CA1MGLLENPP2TRPV1

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-8088356-B2 Metal cation-doped covalent organic framework derivatives for hydrogen storage and method of using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-01-03 US disclosed
US-20110236301-A1 Metal cation-doped covalent organic framework derivatives for hydrogen storage and method of using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-09-29 US disclosed