SCHEMBL385490

SCHEMBL385490

CCC(CC)(C[C@](C)(C=CP(=O)(O)O)NC(=O)OC(C)(C)C)c1ccc(C(=O)CCCCc2ccccc2)n1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CTSK P43235 2/20 0.33
LPAR1 Q92633 3/20 0.32
CES1 P23141 2/20 0.31

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
SCHEMBL3194642 0.84 S1PR1 (0.46) SIGMAR1S1PR1S1PR3S1PR5CES1
SCHEMBL3194650 0.84 S1PR1 (0.46) SIGMAR1S1PR1S1PR3S1PR5CES1
SCHEMBL386588 0.83 S1PR1 (0.37) SIGMAR1S1PR1S1PR3S1PR5CTSK
SCHEMBL385878 0.83 FAAH (0.35) SIGMAR1CTSKCES1
SCHEMBL385489 0.77 S1PR1 (0.43) SIGMAR1S1PR1S1PR3S1PR5CTSK
SCHEMBL3185556 0.74 FAAH (0.39) CES1
SCHEMBL3185558 0.74 FAAH (0.39) CES1
SCHEMBL386686 0.73 S1PR1 (0.43) SIGMAR1S1PR1S1PR3S1PR5CTSK
SCHEMBL3194214 0.71 S1PR1 (0.47) SIGMAR1S1PR1S1PR3S1PR5CES1
SCHEMBL3194222 0.71 S1PR1 (0.47) SIGMAR1S1PR1S1PR3S1PR5CES1

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