SCHEMBL385489

SCHEMBL385489

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
SIGMAR1 Q99720 3/20 0.37
FAAH O00519 4/20 0.31
CTSS P25774 2/20 0.31
CES1 P23141 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 2/20 0.31
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
SCHEMBL3194650 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL3194642 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL386686 0.85 S1PR1 (0.43) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL386587 0.84 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1CTSS
SCHEMBL385877 0.83 FAAH (0.37) SIGMAR1FAAHCES1
SCHEMBL385864 0.80 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL3194222 0.79 S1PR1 (0.47) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL3194214 0.79 S1PR1 (0.47) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL386135 0.79 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1FAAH
SCHEMBL386136 0.79 S1PR1 (0.44) S1PR1S1PR3S1PR5SIGMAR1FAAH

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