SCHEMBL7860702

SCHEMBL7860702

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.36
NR1H2 P55055 10/20 0.36
GPR119 Q8TDV5 5/20 0.35
ABCB1 P08183 1/20 0.33
MCL1 Q07820 2/20 0.33
GHSR Q92847 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 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
SCHEMBL7859559 0.90 ABCB1 (0.35) NR1H3NR1H2GPR119ABCB1MCL1
SCHEMBL7854724 0.88 ABCB1 (0.34) NR1H3NR1H2ABCB1MCL1BCL2
SCHEMBL7860696 0.84 KLK7 (0.37) GPR119ABCB1GHSR
SCHEMBL6404153 0.82 HTRA1 (0.38) GPR119ABCB1
SCHEMBL7859048 0.82 HTRA1 (0.38) GPR119ABCB1
SCHEMBL7859900 0.81 GPR119 (0.33) NR1H3NR1H2GPR119ABCB1MCL1
SCHEMBL7860701 0.79 MEN1 (0.36) NR1H3NR1H2ABCB1MCL1BCL2
SCHEMBL7862618 0.77 GPR119 (0.42) NR1H3NR1H2GPR119ABCB1
SCHEMBL7853700 0.77 VHL (0.38) NR1H3NR1H2GPR119MCL1
SCHEMBL7859630 0.77 VHL (0.35) NR1H3NR1H2GPR119

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-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed