SCHEMBL2451941

SCHEMBL2451941

C[C@@]1(c2ccc3c(I)c(O[C@H]4CC[C@H](C(F)(F)F)CC4)ccc3c2)COC(=O)N1.O=C1CCC(=O)N1I

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.34
LPAR1 Q92633 1/20 0.32

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
SCHEMBL2451934 1.00 ENPP2 (0.34) ENPP2LPAR1
SCHEMBL2451938 1.00 ENPP2 (0.34) ENPP2LPAR1
SCHEMBL2453009 0.93 ENPP2 (0.36) ENPP2LPAR1
SCHEMBL2453006 0.93 ENPP2 (0.36) ENPP2LPAR1
SCHEMBL2453012 0.93 ENPP2 (0.36) ENPP2LPAR1
SCHEMBL2775781 0.88 ENPP2 (0.31) ENPP2
SCHEMBL2449433 0.88 ENPP2 (0.31) ENPP2
SCHEMBL2775779 0.88 ENPP2 (0.31) ENPP2
SCHEMBL2778504 0.86 ENPP2 (0.35) ENPP2
SCHEMBL2484897 0.86 ENPP2 (0.35) ENPP2

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 disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO disclosed