SCHEMBL21471518

SCHEMBL21471518

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 14/20 0.67
ABCC1 P33527 1/20 0.48
FKBP4 Q02790 1/20 0.48
FKBP5 Q13451 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL14407819 0.83 FKBP1A (0.65) FKBP1AABCC1FKBP4FKBP5SMN1; SMN2
SCHEMBL7155851 0.81 FKBP1A (0.80) FKBP1AABCC1FKBP4FKBP5
SCHEMBL5966161 0.81 FKBP1A (0.80) FKBP1AABCC1FKBP4FKBP5
SCHEMBL21540139 0.81 SIGMAR1 (0.52) FKBP1ASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL17884418 0.78 FKBP5 (0.52) FKBP1AFKBP5ALDH1A1
SCHEMBL1233420 0.78 FKBP1A (0.74) FKBP1AABCC1FKBP4FKBP5
SCHEMBL1233422 0.78 FKBP1A (0.74) FKBP1AABCC1FKBP4FKBP5
SCHEMBL21540176 0.77 FKBP5 (0.67) FKBP1AFKBP4FKBP5TDP1
SCHEMBL8186423 0.76 ALDH1A1 (0.66) FKBP1ASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL19337360 0.75 FKBP1A (0.48) FKBP1AFKBP5TDP1MEN1KMT2A

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-3007696-B1 NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF UNIV TEXAS (US) 2019-10-16 EP disclosed