SCHEMBL15519566

SCHEMBL15519566

CCOC(=O)O[C@H]1CCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ADORA1 P30542 1/20 0.34
ATM Q13315 2/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL15520352 0.88 CHRM2 (0.40) CHRM2CHRM1CHRM3MAPTKDM4E
SCHEMBL30360895 0.82 CHRM2 (0.40) CHRM2CHRM1CHRM3MAPTKDM4E
SCHEMBL903617 0.78 MEN1 (0.39) GLAKMT2AMEN1CHRM2CHRM1
SCHEMBL862733 0.78 MEN1 (0.39) GLAKMT2AMEN1CHRM2CHRM1
SCHEMBL946514 0.78 MEN1 (0.39) GLAKMT2AMEN1CHRM2CHRM1
SCHEMBL15512974 0.77 ELANE (0.46) KDM4ETSHR
SCHEMBL16584576 0.76 FKBP1A (0.41) GLAKMT2AMEN1CHRM2CHRM1
SCHEMBL8266791 0.76 FKBP1A (0.41) GLAKMT2AMEN1CHRM2CHRM1
SCHEMBL15281912 0.76 FKBP1A (0.41) GLAKMT2AMEN1CHRM2CHRM1
SCHEMBL3734172 0.76 GLA (0.39) GLAKMT2ACHRM2CHRM1CHRM3

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-2094711-B1 STRUCTURAL MIMETICS OF PROLINE-RICH PEPTIDES AND THE PHARMACEUTICAL USE THEREOF FORSCHUNGSVERBUND BERLIN EV (DE) 2014-03-19 EP disclosed