SCHEMBL9020645

SCHEMBL9020645

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(CC(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ABCB1 P08183 1/20 0.39
MCL1 Q07820 6/20 0.37
HDAC8 Q9BY41 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TP53 P04637 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CTSK P43235 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL9020776 0.92 ABCB1 (0.40) LMNAABCB1MCL1HDAC8KEAP1
SCHEMBL9020436 0.91 ABCB1 (0.39) LMNAABCB1MCL1HDAC8TDP1
SCHEMBL9020596 0.79 ABCB1 (0.39) ABCB1MCL1JAK2JAK1GPR119
SCHEMBL15632378 0.78 ABCB1 (0.39) LMNAABCB1MCL1HDAC8GPR119
SCHEMBL9399200 0.78 ATM (0.33) ABCB1ATM
SCHEMBL4298537 0.78 JAK2 (0.43) ABCB1MCL1JAK2JAK1GPR119
SCHEMBL6404153 0.77 HTRA1 (0.38) LMNAABCB1TDP1JAK2JAK1
SCHEMBL7859048 0.77 HTRA1 (0.38) LMNAABCB1TDP1JAK2JAK1
SCHEMBL7859886 0.76 NR1H2 (0.46) ABCB1JAK2JAK1
SCHEMBL7804688 0.74 GPR119 (0.40) JAK2JAK1GPR119TP53ACHE

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