SCHEMBL386587

SCHEMBL386587

CCOP(=O)(CC[C@@](C)(CCc1ccc(C(=O)CCCCc2ccccc2)n1C)NC(=O)OC(C)(C)C)OCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
SIGMAR1 Q99720 3/20 0.36
CTSK P43235 2/20 0.32
AKT1 P31749 3/20 0.32
CES1 P23141 2/20 0.32
CTSS P25774 1/20 0.32
DUT P33316 1/20 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
SCHEMBL3194222 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR5SIGMAR1CES1
SCHEMBL3194214 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR5SIGMAR1CES1
SCHEMBL385864 0.86 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1CTSK
SCHEMBL385489 0.84 S1PR1 (0.43) S1PR1S1PR3S1PR5SIGMAR1CTSK
SCHEMBL386963 0.82 FAAH (0.36) SIGMAR1CTSKCES1
SCHEMBL386136 0.81 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1CES1
SCHEMBL386135 0.81 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1CES1
SCHEMBL386686 0.81 S1PR1 (0.43) S1PR1S1PR3S1PR5SIGMAR1CTSK
SCHEMBL3194642 0.80 S1PR1 (0.46) S1PR1S1PR3S1PR5SIGMAR1CES1
SCHEMBL3194650 0.80 S1PR1 (0.46) S1PR1S1PR3S1PR5SIGMAR1CES1

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