SCHEMBL21540169

SCHEMBL21540169

COc1ccc(OCCOC(=O)C2CCCCN2C(=O)C(c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 17/20 0.62
FKBP5 Q13451 13/20 0.62
FKBP1B P68106 2/20 0.62
FKBP4 Q02790 3/20 0.61
TMEM97 Q5BJF2 2/20 0.60
HRH2 P25021 1/20 0.60
HTR1D P28221 1/20 0.60
SLC6A3 Q01959 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
FKBP2 P26885 1/20 0.60
HRH4 Q9H3N8 1/20 0.60

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
SCHEMBL19719614 1.00 FKBP1A (0.62) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL16595016 1.00 FKBP1A (0.62) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL18120738 0.89 FKBP5 (0.55) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL21518714 0.89 FKBP1A (0.57) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL21518711 0.89 FKBP1A (0.57) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL19719552 0.88 FKBP5 (0.68) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL16586103 0.88 FKBP5 (0.68) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL16586108 0.88 FKBP5 (0.68) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL21518662 0.87 FKBP1A (0.56) FKBP1AFKBP5FKBP1BFKBP4TMEM97
SCHEMBL21518689 0.87 FKBP1A (0.56) FKBP1AFKBP5FKBP1BFKBP4TMEM97

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