SCHEMBL10401630

SCHEMBL10401630

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MTNR1A P48039 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
TP53 P04637 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
SCHEMBL10401628 1.00 MAPT (0.36) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10401766 0.83 PPARD (0.33) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10404356 0.82 MAOB (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10404355 0.82 MAOB (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9868005 0.81 MAPT (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9868008 0.81 MAPT (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10404833 0.68 KAT6A (0.38) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL10405477 0.68 MEN1 (0.36) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10405675 0.67 MEN1 (0.37) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10405674 0.67 MEN1 (0.37) MAPTLMNASMN1; SMN2MEN1KMT2A

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