SCHEMBL4336848

SCHEMBL4336848

CC1(C)OC[C@H]([C@H]2OC3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ ELANE P08246 2/20 0.32
▸ GSTP1 P09211 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CTSV O60911 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 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
SCHEMBL13204993 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL4546295 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL13953494 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL1096790 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL2312455 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL23989231 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL22892189 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL22236621 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL22335647 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL18671587 1.00 CA1 (0.53) CA1CA2CA9MEN1KMT2A

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
WO-2009108926-A1 INHIBITORS OF GLYCOLYSIS USEFUL IN THE TREATMENT OF BRAIN TUMORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-09-03 — — WO disclosed
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