SCHEMBL11086284

SCHEMBL11086284

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.39
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
SYNJ2 O15056 1/20 0.33
PTPN1 P18031 1/20 0.32
TACR1 P25103 1/20 0.32
CA12 O43570 2/20 0.31
MGAM O43451 1/20 0.31
THRB P10828 1/20 0.30
LMNA P02545 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
SCHEMBL24409872 0.87 TYR (0.38) TYRCA9CA1CA2SYNJ2
SCHEMBL24827518 0.87 TYR (0.34) TYRSPHK2SPHK1TACR1
SCHEMBL17368640 0.82 TYR (0.32) TYR
SCHEMBL2993224 0.78 TYR (0.34) TYRCA9CA1CA2SYNJ2
SCHEMBL14536630 0.78 TYR (0.36) TYRCA9CA1CA2SYNJ2
SCHEMBL2040409 0.78 TYR (0.36) TYRCA9CA1CA2SYNJ2
SCHEMBL2040806 0.78 TYR (0.36) TYRCA9CA1CA2SYNJ2
SCHEMBL23539503 0.78 TYR (0.36) TYRCA9CA1CA2SYNJ2
SCHEMBL2040405 0.78 TYR (0.36) TYRCA9CA1CA2SYNJ2
SCHEMBL13096293 0.75 TYR (0.46) TYRCA9CA1TACR1CA12

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-0052340-B1 C-BETA-D-XYLOPYRANOSIDE SERIES COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Seikagaku Kogyo Co. Ltd. (JP) 1984-08-08 EP disclosed
US-4446312-A ANTICARCINOGENIC AGENTS, ANTICOAGULANTS SEIKAGAKU KOGYO CO., LTD. (JP) 1984-05-01 US disclosed
EP-0052340-A1 C-beta-D-Xylopyranoside series compounds and pharmaceutical compositions containing them Seikagaku Kogyo Co. Ltd. (JP) 1982-05-26 EP disclosed