SCHEMBL22735722

SCHEMBL22735722

CCOC(=O)c1cn(C(=O)OC(C)(C)C)nc1OCC(C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.35
FOS P01100 2/20 0.34
JUN P05412 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ATM Q13315 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
SCHEMBL20239906 0.83 CRHBP (0.38) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL4849339 0.82 CRHBP (0.38) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL16635020 0.81 ALDH1A1 (0.41) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL20029632 0.78 MEN1 (0.35) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL29139295 0.77 CRHBP (0.35) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL29192762 0.77 KMT2A (0.36) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL23009907 0.76 MEN1 (0.42) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL4852951 0.75 CRHBP (0.44) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL8694142 0.74 ALDH1A1 (0.40) CRHBPCRHR2HPGDALDH1A1MEN1
SCHEMBL23009971 0.74 MEN1 (0.39) CRHBPCRHR2HPGDALDH1A1MEN1

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
WO-2020242935-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-03 WO disclosed