SCHEMBL9020169

SCHEMBL9020169

C=CCOC(=O)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 3/20 0.36
CYP19A1 P11511 1/20 0.35
CYP3A4 P08684 1/20 0.34
MGLL Q99685 1/20 0.34
PLA2G4A P47712 2/20 0.34
PLA2G6 O60733 1/20 0.34
SRC P12931 4/20 0.33
SIGMAR1 Q99720 1/20 0.32
F2 P00734 2/20 0.32
ELANE P08246 2/20 0.32
CTSG P08311 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 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
SCHEMBL9020462 0.93 CHRM1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020459 0.93 CHRM1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8833343 0.91 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9754678 0.91 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9215878 0.91 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8098583 0.91 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9197425 0.91 CHRM1 (0.37) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9221565 0.89 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL8833427 0.89 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9216958 0.88 CHRM1 (0.36) CHRM1LMNAMAPK1RAB9AFAAH

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 10 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
EP-0411664-B1 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-01-18 EP 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-1993001192-A1 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-01-21 WO disclosed
EP-0522504-A1 2-(2-substituted pyrrolidinylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1993-01-13 EP disclosed
US-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 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
EP-0411664-A2 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed