SCHEMBL8315697

SCHEMBL8315697

CC(=O)OCc1cc(C(=O)CN2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)ccc1OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
TP53 P04637 1/20 0.37
GPR119 Q8TDV5 6/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TOP2A P11388 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8319314 0.91 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8315355 0.91 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL9030544 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8318596 0.86 GPR119 (0.39) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8319261 0.84 TBXAS1 (0.41) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8319280 0.84 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL7680850 0.83 TP53 (0.43) TP53GPR119KDM4EPKM
SCHEMBL7684487 0.77 ACHE (0.38) TP53KDM4EHRH3
SCHEMBL9031543 0.75 TP53 (0.46) TP53GPR119USP2KDM4EPKM
SCHEMBL8318274 0.75 TBXAS1 (0.42) PDE4DPDE4APDE4BPDE4CTP53

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
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed