SCHEMBL22955191

SCHEMBL22955191

COc1cc(OC2CCN(CCC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
SIRT6 Q8N6T7 1/20 0.40
ALDH1A1 P00352 5/20 0.39
RECQL P46063 2/20 0.39
LMNA P02545 2/20 0.39
CNR1 P21554 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
CCR3 P51677 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL22955726 0.84 CCR3 (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL2825514 0.83 GPR119 (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22954702 0.81 TSHR (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20632691 0.80 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12043181 0.80 PDE4B (0.39) PDE4BALDH1A1RECQLLMNAMAPT
SCHEMBL12042907 0.79 DRD2 (0.43) PDE4BALDH1A1RECQLLMNAMAPT
SCHEMBL29446151 0.79 SIRT6 (0.57) SIRT6ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL375364 0.79 SIRT6 (0.57) SIRT6ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12042904 0.78 PDE4B (0.41) PDE4BALDH1A1RECQLLMNAMAPT
SCHEMBL12042899 0.78 ALDH1A1 (0.45) SIRT6ALDH1A1RECQLLMNAMAPT

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-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed