SCHEMBL5749095

SCHEMBL5749095

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)OCC[Si](C)(C)C)C[C@]1(C)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD11B1 P28845 9/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ EPHX1 P07099 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ GPR119 Q8TDV5 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
SCHEMBL12883927 0.83 HSD11B1 (0.41) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL6080385 0.79 HSD11B1 (0.39) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL6078871 0.79 HSD11B1 (0.39) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL31679498 0.79 HSD11B1 (0.56) HSD11B1CYP2C9EPHX1CTSKCA1
SCHEMBL208362 0.75 HSD11B1 (0.40) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL30750664 0.74 HSD11B1 (0.41) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL8266320 0.73 USP30 (0.40) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL31425429 0.71 SMN1; SMN2 (0.51) MEN1ALDH1A1KMT2AEPHX1CTSK
SCHEMBL5746419 0.70 GAA (0.34) ALDH1A1TSHR
SCHEMBL18850098 0.70 HSD11B1 (0.50) HSD11B1CYP2C9EPHX1CTSKCA1

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-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 — — EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 — — EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 — — WO disclosed
Send feedback