SCHEMBL19976403

SCHEMBL19976403

CC(C)C1C[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SI P14410 2/20 0.48
MGAM O43451 2/20 0.44
OGA O60502 6/20 0.40
GBA1 P04062 3/20 0.36
SLC5A1 P13866 3/20 0.33
SLC5A2 P31639 3/20 0.33
TRPA1 O75762 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33

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
SCHEMBL22174658 0.98 SI (0.45) SIMGAMOGAGBA1SLC5A1
SCHEMBL22179332 0.98 SI (0.45) SIMGAMOGAGBA1SLC5A1
SCHEMBL10093807 0.98 SI (0.45) SIMGAMOGAGBA1SLC5A1
SCHEMBL12868812 0.98 SI (0.45) SIMGAMOGAGBA1SLC5A1
SCHEMBL20273777 0.98 SI (0.45) SIMGAMOGAGBA1SLC5A1
SCHEMBL23640158 0.85 SLC5A1 (0.38) SIMGAMOGASLC5A1SLC5A2
SCHEMBL23640081 0.85 SLC5A1 (0.38) SIMGAMOGASLC5A1SLC5A2
SCHEMBL27423946 0.83 SI (0.34) SIMGAMTRPA1TRPM8
SCHEMBL19590241 0.82 SI (0.48) SIMGAMOGAGBA1TRPA1
SCHEMBL15982394 0.81 TRPA1 (0.32) TRPA1TRPM8

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
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed