SCHEMBL9045544

SCHEMBL9045544

CC(OS(C)(=O)=O)C(OS(C)(=O)=O)C(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
AR P10275 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
RCE1 Q9Y256 1/20 0.35
MMP9 P14780 2/20 0.35

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
SCHEMBL19597242 0.84 CA1 (0.42) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4190909 0.79 CA1 (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7420387 0.77 CA1 (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL2780732 0.74 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL5853921 0.71 CA1 (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL23998026 0.70 TSHR (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6555587 0.70 CA1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17796108 0.70 TSHR (0.45) SLC1A1KMT2ACA1CA2CA9
SCHEMBL17796120 0.70 TSHR (0.45) SLC1A1KMT2ACA1CA2CA9
SCHEMBL10474229 0.70 CA1 (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741731-A1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST SMITHKLINE BEECHAM PLC (GB) 1996-11-13 EP disclosed
WO-1995021172-A1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST SMITHKLINE BEECHAM P.L.C. (GB) 1995-08-10 WO disclosed
EP-0655950-A1 CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY. SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994003271-A1 CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed