SCHEMBL9020512

SCHEMBL9020512

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
HSD11B1 P28845 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.31
SPR P35270 4/20 0.31
KDM4E B2RXH2 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL31040365 0.84 SPR (0.34) ARHSD11B1CHRM2CHRM1CHRM3
SCHEMBL8106545 0.84 SPR (0.34) ARHSD11B1CHRM2CHRM1CHRM3
SCHEMBL9754704 0.84 GBA2 (0.31)
SCHEMBL31040353 0.80 NR1H2 (0.35) ARCHRM2CHRM1CHRM3SPR
SCHEMBL9020453 0.80 AR (0.34) ARHSD11B1CHRM2CHRM1CHRM3
SCHEMBL9020398 0.80 SPR (0.33) ARHSD11B1CHRM2CHRM1CHRM3
SCHEMBL9399801 0.78 CHRM2 (0.33) ARCHRM2CHRM1CHRM3ALDH1A1
SCHEMBL9399192 0.78 NR1H2 (0.34) ARCHRM2CHRM1CHRM3PARP1
SCHEMBL9020513 0.77 PARP1 (0.32) ARDDB1CRBNPARP1
SCHEMBL9400105 0.76 NR1H2 (0.35) ARHSD11B1CHRM2CHRM1CHRM3

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-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
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed