SCHEMBL28812499

SCHEMBL28812499

COc1cc(OC)c(OC)cc1CCC(O)c1cccc(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
OPRK1 P41145 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NSD2 O96028 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL21690106 1.00 KMT2A (0.41) KMT2AMEN1GAALMNAMAPT
SCHEMBL29731103 1.00 KMT2A (0.41) KMT2AMEN1GAALMNAMAPT
SCHEMBL29730888 0.95 KMT2A (0.39) KMT2AMEN1GAALMNAMAPT
SCHEMBL28812491 0.95 KMT2A (0.39) KMT2AMEN1GAALMNAMAPT
SCHEMBL21690547 0.95 KMT2A (0.39) KMT2AMEN1GAALMNAMAPT
SCHEMBL21643537 0.92 MTNR1A (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21689953 0.92 MTNR1A (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL29731075 0.92 MTNR1A (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL24846026 0.88 L3MBTL1 (0.38) KMT2AMEN1GAALMNAMAPT
SCHEMBL21643315 0.88 L3MBTL1 (0.38) KMT2AMEN1GAALMNAMAPT

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
CN-114746103-A Rapafucin derivative compounds and methods of use thereof 约翰霍普金斯大学 2022-07-12 CN disclosed