SCHEMBL9698372

SCHEMBL9698372

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33
ATM Q13315 1/20 0.31

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
SCHEMBL7288124 0.87 SPHK1 (0.34) SPHK1ATM
SCHEMBL7287745 0.87 SPHK1 (0.34) SPHK1
SCHEMBL8270852 0.87 SPHK1 (0.38) SPHK1
SCHEMBL7284149 0.86 SPHK1 (0.33) SPHK1
SCHEMBL8270847 0.83 SPHK1 (0.34) SPHK1
SCHEMBL13114353 0.83 SPHK1 (0.34) SPHK1
SCHEMBL13114343 0.82 SPHK1 (0.34) SPHK1
SCHEMBL8270858 0.82 SPHK1 (0.34) SPHK1
SCHEMBL10448591 0.82 RABGGTB (0.33) SPHK1
SCHEMBL16312232 0.82 KLK7 (0.39)

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-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed