SCHEMBL7926092

SCHEMBL7926092

C#Cc1ccc(OCC2CC2)c(OCCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.39
PDE4D Q08499 8/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GRM2 Q14416 1/20 0.34
RIPK1 Q13546 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL7925295 0.87 CYP1A2 (0.41) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3758134 0.81 CHUK (0.44) ALDH1A1SLC6A3LMNAMAPT
SCHEMBL29607397 0.81 CHUK (0.44) ALDH1A1SLC6A3LMNAMAPT
SCHEMBL28748440 0.81 CHUK (0.44) ALDH1A1SLC6A3LMNAMAPT
SCHEMBL7920894 0.80 PDE4B (0.40) PDE4APDE4DPDE4BPDE4CPPARG
SCHEMBL7920527 0.80 PPARG (0.37) PDE4APDE4DPDE4BPDE4CNPC1
SCHEMBL7922511 0.80 SMPD1 (0.45) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7931605 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL7929583 0.76 FDPS (0.52) PDE4APDE4DPDE4BPDE4CNPC1
SCHEMBL29101743 0.76 SMPD1 (0.50) 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
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed