SCHEMBL21540177

SCHEMBL21540177

COc1cc(CC(=O)N2CCCCC2C(=O)OCCCOCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 19/20 0.59

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
SCHEMBL21540178 0.95 FKBP1A (0.57) FKBP1A
SCHEMBL21540293 0.86 FKBP1A (0.62) FKBP1A
SCHEMBL19719620 0.84 FKBP5 (0.59) FKBP1A
SCHEMBL19719622 0.84 FKBP5 (0.59) FKBP1A
SCHEMBL16586353 0.84 FKBP5 (0.59) FKBP1A
SCHEMBL21540131 0.84 FKBP1A (0.62) FKBP1A
SCHEMBL21241498 0.83 FKBP1A (0.69) FKBP1A
SCHEMBL21241599 0.83 FKBP1A (0.69) FKBP1A
SCHEMBL21241503 0.81 FKBP1A (0.61) FKBP1A
SCHEMBL21241601 0.81 FKBP1A (0.61) 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