SCHEMBL7939119

SCHEMBL7939119

CC(O)c1ccc(N(Cc2cnco2)c2cccc(C(=O)O)c2)cc1OC1CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
DGAT2 Q96PD7 2/20 0.35
LTC4S Q16873 1/20 0.34
IMPDH2 P12268 1/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
PPARG P37231 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL3209523 0.87 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL3208478 0.85 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL3201072 0.84 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL3193794 0.83 MRGPRX4 (0.42) RXRALTC4SIMPDH2PPARG
SCHEMBL3215109 0.82 PDE4D (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL3208802 0.81 TSHR (0.49) LTC4SIMPDH2AAK1
SCHEMBL3117544 0.79 HRH4 (0.39) RXRAPDE4DRXRBRXRGPPARG
SCHEMBL3194788 0.79 TSHR (0.44) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL3203543 0.79 PDE4D (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL3129488 0.78 RXRA (0.39) RXRAPDE4APDE4BPDE4CPDE4D

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed