SCHEMBL7287209

SCHEMBL7287209

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
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
SCHEMBL16934258 0.89 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL16934260 0.89 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL7284303 0.88 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8145278 0.81 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL5495814 0.81 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112149 0.81 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112146 0.81 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL7287051 0.81 SPHK1 (0.35) SPHK1
SCHEMBL7287047 0.81 SPHK1 (0.35) SPHK1
SCHEMBL7280459 0.81 EPHX1 (0.33) 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 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