SCHEMBL386963

SCHEMBL386963

CCOP(=O)(CC[C@@](C)(CCc1ccc(C(=O)CCCCc2ccccc2)o1)NC(=O)OC(C)(C)C)OCC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.36
CES1 P23141 3/20 0.36
SIGMAR1 Q99720 3/20 0.34
DAGLA Q9Y4D2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL3205672 0.90 FAAH (0.41) FAAHCES1SIGMAR1DAGLA
SCHEMBL3205662 0.90 FAAH (0.41) FAAHCES1SIGMAR1DAGLA
SCHEMBL386667 0.86 CES1 (0.42) FAAHCES1SIGMAR1DAGLA
SCHEMBL385877 0.84 FAAH (0.37) FAAHCES1SIGMAR1
SCHEMBL386587 0.82 S1PR1 (0.44) CES1SIGMAR1CTSK
SCHEMBL387356 0.81 CES1 (0.41) FAAHCES1SIGMAR1DAGLA
SCHEMBL3185556 0.80 FAAH (0.39) FAAHCES1
SCHEMBL3185558 0.80 FAAH (0.39) FAAHCES1
SCHEMBL386964 0.76 FAAH (0.38) FAAHCES1SIGMAR1DAGLACTSK
SCHEMBL6130099 0.74 CETP (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed