SCHEMBL9020436

SCHEMBL9020436

CCOC(=O)CC(C(=O)NCc1ccccc1)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
PPID Q08752 1/20 0.38
LMNA P02545 2/20 0.35
MDM2 Q00987 2/20 0.35
SRC P12931 4/20 0.35
MCL1 Q07820 4/20 0.35
HDAC8 Q9BY41 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
CTSK P43235 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9020645 0.91 LMNA (0.42) ABCB1LMNAMCL1HDAC8TDP1
SCHEMBL9020776 0.88 ABCB1 (0.40) ABCB1LMNAMCL1HDAC8TDP1
SCHEMBL9020596 0.87 ABCB1 (0.39) ABCB1PPIDSRCMCL1GPR119
SCHEMBL9020488 0.84 SRC (0.32) SRC
SCHEMBL9399242 0.79 SRC (0.32) SRC
SCHEMBL8106371 0.78 SRC (0.31) SRC
SCHEMBL9399077 0.76 NR1H2 (0.31) SRC
SCHEMBL15632378 0.75 ABCB1 (0.39) ABCB1LMNAMCL1HDAC8GPR119
SCHEMBL4298537 0.74 JAK2 (0.43) ABCB1MCL1GPR119KLK7KLK5
SCHEMBL9020176 0.74 MAPT (0.36) LMNAL3MBTL1

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