SCHEMBL4819660

SCHEMBL4819660

COc1cccc(OC)c1C(=O)C(C(=O)c1c(OC)cccc1OC)C(C)(C)CC(C)COP1(O)(O)OO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL28564624 0.82 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL28239957 0.80 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL15362 0.80 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL131005 0.79 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL2344121 0.78 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL134377 0.76 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1663849 0.74 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL20544420 0.74 CA12 (0.36) CA12CA1CA2CA7CA9
Benzoic Acid SCHEMBL28208456 0.73 MRGPRX4 (0.40) CA12CA1CA2CA7CA9
SCHEMBL58176 0.73 CA12 (0.38) CA12CA1CA2CA7CA9

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-7449499-B2 Self-etching dental compositions and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-11-11 US disclosed