SCHEMBL21540174

SCHEMBL21540174

COc1cc(CC(=O)N2CCCCC2C(=O)OC2CC=CC2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.52
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.43
FKBP5 Q13451 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL21540292 0.91 FKBP1A (0.54) FKBP1ASIGMAR1KMT2AMEN1FKBP5
SCHEMBL17884409 0.87 FKBP1A (0.52) FKBP1ASIGMAR1KMT2AMEN1FKBP5
SCHEMBL7395808 0.87 FKBP1A (0.52) FKBP1ASIGMAR1KMT2AMEN1FKBP5
SCHEMBL21540290 0.85 FKBP1A (0.48) FKBP1ASIGMAR1KMT2AMEN1FKBP5
SCHEMBL5741062 0.83 POLB (0.51) FKBP1ASIGMAR1KMT2AMEN1POLB
SCHEMBL5741069 0.83 POLB (0.51) FKBP1ASIGMAR1KMT2AMEN1POLB
SCHEMBL21540131 0.83 FKBP1A (0.62) FKBP1AKMT2A
SCHEMBL17884595 0.81 SIGMAR1 (0.52) FKBP1ASIGMAR1KMT2AMEN1FKBP5
SCHEMBL21540293 0.81 FKBP1A (0.62) FKBP1AKMT2A
SCHEMBL16585990 0.80 FKBP5 (0.66) FKBP1ASIGMAR1FKBP5

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
EP-3030556-B1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2019-10-30 EP disclosed