SCHEMBL8095097

SCHEMBL8095097

COc1ccccc1C(C)(OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.53
PDE4B Q07343 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CACNB4 O00305 1/20 0.47
CACNA1A O00555 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNG3 O60359 1/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNB3 P54284 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNG7 P62955 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNG1 Q06432 1/20 0.47
CACNB2 Q08289 1/20 0.47
CACNA1S Q13698 1/20 0.47

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
SCHEMBL8095094 0.84 GPR119 (0.53) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL19839235 0.80 PDE4B (0.64) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL18985464 0.80 USP30 (0.46) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL3103045 0.76 RBP4 (0.63) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL7404326 0.76 GPR119 (0.53) GPR119KDM4EPKMALDH1A1MEN1
SCHEMBL7404329 0.76 GPR119 (0.50) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL4854592 0.75 MEN1 (0.64) GPR119PDE4BTP53ALDH1A1MEN1
SCHEMBL71246 0.74 EPHX2 (0.56) GPR119KDM4EKDM1A
SCHEMBL6682953 0.74 TGFBR1 (0.53) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL30826617 0.74 PDE4B (0.57) GPR119PDE4BPDE4APDE4CPDE4D

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
US-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 US disclosed