SCHEMBL2486038

SCHEMBL2486038

CC(C)(C)C1CCCC(Oc2ccc3cc([C@@](C)(N)COP(=O)(O)O)ccc3c2)C1.[Fe]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.35
S1PR3 Q99500 10/20 0.35
S1PR4 O95977 6/20 0.35
S1PR5 Q9H228 6/20 0.35
ROCK1 Q13464 2/20 0.34
SRC P12931 1/20 0.33
ACACB O00763 1/20 0.32
ABL1 P00519 1/20 0.32
FURIN P09958 2/20 0.32
KCNH2 Q12809 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
SCHEMBL2453802 0.88 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5SRC
SCHEMBL2453805 0.88 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5SRC
SCHEMBL2453803 0.88 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5SRC
SCHEMBL2446646 0.82 ENPP2 (0.36) S1PR1S1PR3S1PR4S1PR5SRC
SCHEMBL2457011 0.82 ENPP2 (0.36) S1PR1S1PR3S1PR4S1PR5SRC
SCHEMBL2454808 0.79 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5ABL1
SCHEMBL2454812 0.79 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5ABL1
SCHEMBL2485792 0.78 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2774941 0.78 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2485801 0.78 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5

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
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP claimed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO claimed