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Sugi Predict / Compounds / SCHEMBL387454

SCHEMBL387454

SCHEMBL387454

CCC(CC)(Cc1ccc(C(=O)CCCCc2ccccc2)o1)[C@](C)(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.38
▸ FAAH O00519 6/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SIGMAR1 Q99720 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL387356 0.81 CES1 (0.41) CES1FAAHSIGMAR1DAGLA
SCHEMBL386667 0.78 CES1 (0.42) CES1FAAHSIGMAR1DAGLA
SCHEMBL387455 0.77 CES1 (0.38) CES1FAAHSIGMAR1DAGLA
SCHEMBL3205662 0.75 FAAH (0.41) CES1FAAHSIGMAR1DAGLA
SCHEMBL3205672 0.75 FAAH (0.41) CES1FAAHSIGMAR1DAGLA
SCHEMBL386963 0.74 FAAH (0.36) CES1FAAHNPSR1SIGMAR1DAGLA
SCHEMBL3185556 0.74 FAAH (0.39) CES1FAAH
SCHEMBL3185558 0.74 FAAH (0.39) CES1FAAH
SCHEMBL385877 0.73 FAAH (0.37) CES1FAAHSIGMAR1
SCHEMBL386964 0.70 FAAH (0.38) CES1FAAHSIGMAR1DAGLA

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