SCHEMBL8319280

SCHEMBL8319280

CC(C)(C)OC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)O)c(Cc4ncc[nH]4)c3)C(=O)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
TP53 P04637 1/20 0.35
GPR119 Q8TDV5 12/20 0.34
HCAR1 Q9BXC0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL8318295 0.92 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8316433 0.89 ITGB3 (0.37) PDE4BKDM4EMAPT
SCHEMBL8315355 0.87 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CTP53
Trifluoroacetic Acid SCHEMBL8317333 0.86 ITGB3 (0.36)
SCHEMBL9030544 0.85 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8315697 0.84 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8319261 0.84 TBXAS1 (0.41) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8318596 0.82 GPR119 (0.39) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL7680850 0.80 TP53 (0.43) TP53GPR119KDM4E
SCHEMBL8317905 0.79 ITGB3 (0.38) PDE4B

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