SCHEMBL20105229

SCHEMBL20105229

COC[C@H]1CC[C@@H](COC(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34

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
SCHEMBL18889361 1.00 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL18883524 0.90 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL13452 0.90
SCHEMBL12541302 0.90 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL18883522 0.90 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL24775530 0.82 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL29337299 0.82 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1
SCHEMBL10107071 0.82 JAK2 (0.31)
SCHEMBL17253449 0.82 JAK2 (0.31)
SCHEMBL131878 0.82

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-3143068-B1 THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL AND FURANDICARBOXYLIC ACID MOTIFS ROQUETTE FRERES (FR) 2018-05-02 EP disclosed