SCHEMBL7123940

SCHEMBL7123940

CCCc1cc(=O)oc2c(C(=O)CC)c(CC(=O)OCC)c3c(c12)OC(C)(C)CC3

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ POLB P06746 4/20 0.41
▸ APAF1 O14727 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35

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
SCHEMBL6631891 0.84 MEN1 (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7103060 0.83 POLB (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7099367 0.81 MEN1 (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7098427 0.80 MEN1 (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7153122 0.79 MEN1 (0.45) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL13261760 0.79 MEN1 (0.44) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7101207 0.76 KMT2A (0.58) MEN1KMT2APOLBALDH1A1
SCHEMBL6630986 0.73 MEN1 (0.47) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL6630982 0.70 MEN1 (0.44) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7097929 0.70 MEN1 (0.44) MEN1KMT2APOLBAPAF1ALDH1A1

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-6670383-B2 Such as 5-(2-hydroxy-ethoxy)-2,2-dimethyl-6-propionyl-10-propyl-2H-pyrano(2,3 -f)chromen-8-one for treatment of Mycobacterium infection, AIDS, and tuburculosis ADVANCED LIFE SCIENCES, INC. 2003-12-30 — — US disclosed
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