SCHEMBL9026282

SCHEMBL9026282

CC(C)(C)[Si](C)(C)OC1CC(CO)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
POLB P06746 1/20 0.41
AGTR2 P50052 1/20 0.40
HTR2C P28335 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PREP P48147 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38

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
SCHEMBL18962 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL29254 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL15958482 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL8833139 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL115984 0.92 PDK1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL9370028 0.92 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL9370027 0.92 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL10390740 0.90 ABCB1 (0.42) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL14348092 0.90 ABCB1 (0.42) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL6803097 0.89 POLB (0.43) PDK1PDK2PDK3PDK4POLB

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-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
EP-0243686-A2 Beta-lactam compounds, and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-04 EP disclosed