SCHEMBL9399200

SCHEMBL9399200

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
NR1H2 P55055 1/20 0.33
PPM1D O15297 1/20 0.32
ABCB1 P08183 1/20 0.31
CCR2 P41597 1/20 0.31
UCHL1 P09936 1/20 0.30
NQO1 P15559 1/20 0.30

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
SCHEMBL9399506 0.87 NR1H2 (0.36) NR1H2
SCHEMBL9399242 0.87 SRC (0.32) NR1H2PPM1D
SCHEMBL8108016 0.83 NR1H2 (0.32) NR1H2
SCHEMBL9595771 0.82 NR1H2 (0.36) NR1H2
SCHEMBL8107979 0.82 NR1H2 (0.36) NR1H2
SCHEMBL4293926 0.82 NR1H2 (0.32) NR1H2CCR2
SCHEMBL8759135 0.82 NR1H2 (0.32) NR1H2CCR2UCHL1
SCHEMBL4293924 0.82 NR1H2 (0.32) NR1H2CCR2
SCHEMBL9399785 0.81 GPR119 (0.33) NR1H2
SCHEMBL8112404 0.81 NR1H2 (0.35) NR1H2

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
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed