SCHEMBL10401481

SCHEMBL10401481

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ALDH2 P05091 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 2/20 0.33

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 0.92 MAPT (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405373 0.88 MTNR1A (0.37) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10401766 0.84 PPARD (0.33) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405675 0.80 MEN1 (0.37) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10401465 0.78 CA12 (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405477 0.73 MEN1 (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10404356 0.69 MAOB (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10404833 0.69 KAT6A (0.38) MEN1KMT2ASMN1; SMN2KDM4EMAOA
SCHEMBL9868005 0.68 MAPT (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9868008 0.68 MAPT (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2

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