SCHEMBL4195065

SCHEMBL4195065

COC(=O)c1ccc(OC)c(OCC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.53
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4278555 0.88 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL23825806 0.87 RBP4 (0.41) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL1056543 0.86 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL17844321 0.85 NOX1 (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL21473561 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL30017688 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2090601 0.82 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28033753 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL631819 0.82 DRD2 (0.52) MAPT
SCHEMBL21473562 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP disclosed
EP-1648455-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-04-26 EP disclosed
WO-2005009389-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-02-03 WO disclosed