SCHEMBL7287745

SCHEMBL7287745

CC(C)C[C@H]1[C@H](CCO)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
NR1H2 P55055 1/20 0.31
HCRTR2 O43614 1/20 0.30

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
SCHEMBL8270852 0.90 SPHK1 (0.38) SPHK1HCRTR2
SCHEMBL7284149 0.88 SPHK1 (0.33) SPHK1HCRTR2
SCHEMBL9698372 0.87 SPHK1 (0.33) SPHK1
SCHEMBL8270847 0.85 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL13114353 0.85 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8270858 0.84 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL7288124 0.84 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL13114343 0.84 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL7277235 0.82 SPHK1 (0.30) SPHK1
SCHEMBL9697163 0.81 GPR119 (0.39) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP disclosed