SCHEMBL10401465

SCHEMBL10401465

C=CCOc1ccc2c(c1)[C@H](CCCl)[C@@H](CC=O)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA9 Q16790 5/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
AGER Q15109 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL10401577 0.86 MAPT (0.36) CA12CA1CA9MAPTMEN1
SCHEMBL10401481 0.78 MAPT (0.37) CA12CA1CA9MAPTMEN1
SCHEMBL10401262 0.75
SCHEMBL10405477 0.74 MEN1 (0.36) CA12CA1CA9MAPTMEN1
SCHEMBL10405373 0.73 MTNR1A (0.37) CA12CA1CA9MAPTMEN1
SCHEMBL10401485 0.72
SCHEMBL10405674 0.71 MEN1 (0.37) CA12CA1CA9MAPTMEN1
SCHEMBL10405675 0.71 MEN1 (0.37) CA12CA1CA9MAPTMEN1
SCHEMBL10401766 0.70 PPARD (0.33) CA12CA1CA9MAPTMEN1
SCHEMBL9868005 0.67 MAPT (0.39) CA12CA1CA9MAPTMEN1

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-4978679-A 6- and/or 7-substituted-1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis MERCK & CO., INC. (US) 1990-12-18 US disclosed