SCHEMBL6650282

SCHEMBL6650282

N[C@@H]1[C@@H](N)CCO[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
SLC6A1 P30531 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TYMP P19971 10/20 0.34
SLC6A11 P48066 1/20 0.32

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
SCHEMBL6650591 0.77 TYMP (0.39) KIF11SLC6A1MEN1KMT2ATYMP
SCHEMBL31259093 0.77 KIF11 (0.43) KIF11SLC6A1MEN1KMT2A
SCHEMBL23215181 0.71 TYMP (0.44) KIF11SLC6A1MEN1KMT2ATYMP
SCHEMBL13690826 0.71 TYMP (0.44) KIF11SLC6A1MEN1KMT2ATYMP
SCHEMBL283757 0.71 TYMP (0.44) KIF11SLC6A1MEN1KMT2ATYMP
SCHEMBL298850 0.71 SLC6A11 (0.41) KIF11SLC6A1MEN1KMT2ATYMP
SCHEMBL28520814 0.70 HPGD (0.42)
SCHEMBL11302489 0.70 HPGD (0.42)
SCHEMBL7623595 0.70 TDP1 (0.53) KIF11MEN1KMT2A
SCHEMBL689297 0.70 TDP1 (0.53) KIF11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741731-B1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS SMITHKLINE BEECHAM PLC (GB) 2004-04-07 EP disclosed
US-6211107-B1 Process for expoxidizing prochiral olefins and a catalyst therefor and intermediates for making the catalyst SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-03 US disclosed
US-5916975-A Process for epoxidising prochiral olefins and a catalyst therefor and intermediates for making the catalyst SMITHKLINE BEECHAM P.L.C. (GB) 1999-06-29 US disclosed
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