SCHEMBL21540293

SCHEMBL21540293

COc1cc(CC(=O)N2CCCCC2C(=O)OCCCO)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.62
KMT2A Q03164 1/20 0.49

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
SCHEMBL21540131 0.90 FKBP1A (0.62) FKBP1AKMT2A
SCHEMBL21540177 0.86 FKBP1A (0.59) FKBP1A
SCHEMBL21540292 0.83 FKBP1A (0.54) FKBP1AKMT2A
SCHEMBL21540178 0.83 FKBP1A (0.57) FKBP1A
SCHEMBL17884409 0.82 FKBP1A (0.52) FKBP1AKMT2A
SCHEMBL7395808 0.82 FKBP1A (0.52) FKBP1AKMT2A
SCHEMBL21540174 0.81 FKBP1A (0.52) FKBP1AKMT2A
SCHEMBL16595025 0.81 FKBP5 (0.66) FKBP1A
SCHEMBL19719600 0.81 FKBP5 (0.66) FKBP1A
SCHEMBL21241647 0.80 FKBP1A (0.75) FKBP1A

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