SCHEMBL4974483

SCHEMBL4974483

COCC(C)(C)CC1COC(C)(C)N1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL3614794 0.85 SPHK1 (0.45) SPHK1
SCHEMBL3614792 0.85 SPHK1 (0.45) SPHK1
SCHEMBL4970109 0.84 SPHK1 (0.32) SPHK1
SCHEMBL3465518 0.83 KDM4E (0.33) SPHK1
SCHEMBL1866291 0.83 SPHK1 (0.34) SPHK1
SCHEMBL1858563 0.81 SPHK1 (0.33) SPHK1
SCHEMBL3466182 0.80 SPHK1 (0.35) SPHK1
SCHEMBL5548054 0.79 PDK1 (0.32) SPHK1
SCHEMBL1067656 0.74 SPHK1 (0.31) SPHK1
SCHEMBL15270881 0.74 SPHK1 (0.31) SPHK1

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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed