SCHEMBL28811985

SCHEMBL28811985

COc1cc(CCC(O)c2cccc(OCC(=O)OC(C)(C)C)c2)c(OC)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.38
OPRK1 P41145 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TNFRSF1A P19438 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 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
SCHEMBL21690043 1.00 L3MBTL1 (0.39) L3MBTL1CYP1A2OPRK1GAALMNA
SCHEMBL24846026 0.88 L3MBTL1 (0.38) L3MBTL1OPRK1GAALMNAMAPT
SCHEMBL21643315 0.88 L3MBTL1 (0.38) L3MBTL1OPRK1GAALMNAMAPT
SCHEMBL21643439 0.87 OPRK1 (0.40) L3MBTL1OPRK1
SCHEMBL499202 0.87 OPRK1 (0.40) L3MBTL1OPRK1
SCHEMBL21643235 0.87 LMNA (0.50) L3MBTL1CYP1A2LMNA
SCHEMBL29731103 0.87 KMT2A (0.41) L3MBTL1OPRK1GAALMNAMAPT
SCHEMBL21643232 0.87 LMNA (0.50) L3MBTL1CYP1A2LMNA
SCHEMBL21690106 0.87 KMT2A (0.41) L3MBTL1OPRK1GAALMNAMAPT
SCHEMBL28812499 0.87 KMT2A (0.41) L3MBTL1OPRK1GAALMNAMAPT

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