SCHEMBL14944260

SCHEMBL14944260

CC(C)(C)[C@@H]1CCC(O)[C@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
EPHX1 P07099 1/20 0.32
LIPA P38571 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
SCHEMBL9613562 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL13154333 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL11133799 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL13644808 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL14263501 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL9613565 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL14263470 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL2854115 0.84 SLC18A3 (0.30) SLC18A3
SCHEMBL20857177 0.83 SLC18A3 (0.33) SLC18A3
SCHEMBL19319183 0.83 SLC18A3 (0.33) SLC18A3

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-2074132-B1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS INC (US) 2013-05-15 EP disclosed