SCHEMBL9020058

SCHEMBL9020058

CC(C)(C)[Si](C)(C)OCC1CCC(=O)N1[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.35
FKBP1A P62942 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL13613723 0.85 DUT (0.36) DUTFKBP1ATOP2A
SCHEMBL5676651 0.82 PDK2 (0.37) DUTFKBP1ATOP2A
SCHEMBL22029081 0.82 PDK2 (0.37) DUTFKBP1ATOP2A
SCHEMBL5676774 0.82 PDK2 (0.37) DUTFKBP1ATOP2A
SCHEMBL1576228 0.78 DUT (0.34) DUTFKBP1ATOP2A
SCHEMBL3742158 0.77 DUT (0.34) DUTFKBP1ATOP2A
SCHEMBL211191 0.77 DUT (0.34) DUTFKBP1ATOP2A
SCHEMBL24795959 0.76 PDK2 (0.41) DUTFKBP1A
SCHEMBL1401084 0.76 PDK2 (0.41) DUTFKBP1A
SCHEMBL21389332 0.76 DUT (0.33) DUT

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-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
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
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed