SCHEMBL16667132

SCHEMBL16667132

Cc1cc(OC2CCC(C(C)(C)C)CC2)cc2ccc(CN3CC(OC(=O)O)C3)cc12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.51
▸ S1PR5 Q9H228 13/20 0.48

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
SCHEMBL19272381 0.90 S1PR5 (0.60) ENPP2S1PR5
SCHEMBL11942515 0.90 S1PR5 (0.60) ENPP2S1PR5
SCHEMBL1161489 0.90 S1PR5 (0.60) ENPP2S1PR5
SCHEMBL16667001 0.88 ENPP2 (0.53) ENPP2S1PR5
SCHEMBL11027735 0.86 ENPP2 (0.50) ENPP2S1PR5
SCHEMBL18532957 0.86 ENPP2 (0.50) ENPP2S1PR5
SCHEMBL11942516 0.86 ENPP2 (0.50) ENPP2S1PR5
SCHEMBL1161329 0.85 S1PR5 (0.62) ENPP2S1PR5
SCHEMBL11942519 0.85 S1PR5 (0.62) ENPP2S1PR5
SCHEMBL15922567 0.85 S1PR5 (0.62) ENPP2S1PR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461683-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2015-04-29 — — EP claimed
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