SCHEMBL21540139

SCHEMBL21540139

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.47
FKBP1A P62942 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL21540140 0.85 KMT2A (0.59) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL21594744 0.85 KMT2A (0.59) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL17884595 0.85 SIGMAR1 (0.52) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL7395808 0.83 FKBP1A (0.52) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL17884409 0.83 FKBP1A (0.52) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL21593860 0.82 SIGMAR1 (0.51) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL21471518 0.81 FKBP1A (0.67) KMT2AMEN1FKBP1ASMN1; SMN2ALDH1A1
SCHEMBL21540292 0.79 FKBP1A (0.54) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL5741062 0.79 POLB (0.51) SIGMAR1KMT2AMEN1POLBFKBP1A
SCHEMBL5741069 0.79 POLB (0.51) SIGMAR1KMT2AMEN1POLBFKBP1A

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