SCHEMBL4557788

SCHEMBL4557788

CC(=O)CCCCn1c(=O)c2c(n(C)c1=O)NCN2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.46
PDE4A P27815 5/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
NFKB1 P19838 2/20 0.46
ACHE P22303 2/20 0.46
PMP22 Q01453 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
ADORA2B P29275 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
BRD4 O60885 1/20 0.37
MAPK1 P28482 1/20 0.36

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
Iodide SCHEMBL28472258 0.75 TNF (0.47) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL20011219 0.73 CHRM2 (0.35) TNF
SCHEMBL18819089 0.73 TNF (0.31) TNF
SCHEMBL20011542 0.72 TNF (0.35) TNF
SCHEMBL20011251 0.72 TRPA1 (0.36) TNFMAPT
SCHEMBL10587392 0.72 ADORA2B (0.44) ADORA2BBLM
SCHEMBL7624763 0.68 PDE4A (0.41) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL20011545 0.66 PARG (0.41) KDM4EALDH1A1
SCHEMBL18119896 0.66 TNF (0.49) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL19246134 0.65 ALDH1A1 (0.32) LMNAALDH1A1POLB

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
US-7563565-B1 Method of preparing bio-identical hormones Matsuo, Susan (US) 2009-07-21 US disclosed
US-7354608-B1 Bio-identical hormones and method of use Matsuo, Susan (US) 2008-04-08 US disclosed
US-6967194-B1 Bio-identical hormones and method of use Matsuo, Susan (US) 2005-11-22 US disclosed