SCHEMBL27677483

SCHEMBL27677483

CC(C)CCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
EPHX2 P34913 1/20 0.62
SIGMAR1 Q99720 1/20 0.60
BCHE P06276 6/20 0.59
MGLL Q99685 2/20 0.56
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53

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
SCHEMBL10085324 0.89 BCHE (0.68) LTA4HEPHX2SIGMAR1BCHEFFAR1
SCHEMBL12746089 0.87 RAB9A (0.59) BCHEMGLL
SCHEMBL12630258 0.85 LTA4H (0.77) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL12040562 0.85 LTA4H (0.77) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL28176410 0.83 LTA4H (0.65) LTA4HEPHX2SIGMAR1BCHEFFAR1
SCHEMBL105419 0.83 LMNA (0.53) SIGMAR1
SCHEMBL13072738 0.83 FFAR1 (0.59) BCHEFFAR1
SCHEMBL6283332 0.82 LTA4H (0.68) LTA4HEPHX2SIGMAR1BCHEMGLL
SCHEMBL5448101 0.82 LTA4H (0.68) LTA4HEPHX2SIGMAR1BCHEMGLL
SCHEMBL1299996 0.81 SIGMAR1 (0.53) SIGMAR1

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
CN-1930152-A 1, 3-dioxane derivatives and analogues thereof for the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LTD (IN) 2007-03-14 CN disclosed