SCHEMBL386964

SCHEMBL386964

CCC(CC)(C[C@](C)(CCP(=O)(O)O)NC(=O)OC(C)(C)C)c1ccc(C(=O)CCCCc2ccccc2)o1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.38
CES1 P23141 4/20 0.36
CTSK P43235 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
NAAA Q02083 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
DAGLA Q9Y4D2 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 0.84 FAAH (0.41) FAAHCES1SIGMAR1NAAAS1PR2
SCHEMBL3205662 0.84 FAAH (0.41) FAAHCES1SIGMAR1NAAAS1PR2
SCHEMBL385878 0.83 FAAH (0.35) FAAHCES1CTSKSIGMAR1DAGLA
SCHEMBL386588 0.82 S1PR1 (0.37) FAAHCES1CTSKSIGMAR1NAAA
SCHEMBL387455 0.82 CES1 (0.38) FAAHCES1CTSKSIGMAR1DAGLA
SCHEMBL386963 0.76 FAAH (0.36) FAAHCES1CTSKSIGMAR1DAGLA
SCHEMBL386667 0.74 CES1 (0.42) FAAHCES1SIGMAR1DAGLA
SCHEMBL3194222 0.74 S1PR1 (0.47) FAAHCES1SIGMAR1NAAAS1PR2
SCHEMBL3194214 0.74 S1PR1 (0.47) FAAHCES1SIGMAR1NAAAS1PR2
SCHEMBL3185556 0.71 FAAH (0.39) FAAHCES1

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