SCHEMBL9198261

SCHEMBL9198261

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.37
FAAH O00519 3/20 0.35
CYP19A1 P11511 1/20 0.35
MGLL Q99685 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
F2 P00734 2/20 0.30
ELANE P08246 2/20 0.30
KIF11 P52732 1/20 0.30
AGTR2 P50052 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
SCHEMBL9198269 1.00 CHRM1 (0.37) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9201263 0.90 CHRM1 (0.38) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9201254 0.90 CHRM1 (0.38) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9197605 0.88 CHRM1 (0.37) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9196475 0.88 CHRM1 (0.37) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9197532 0.88 CHRM1 (0.37) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9020483 0.87 L3MBTL1 (0.37) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9020479 0.87 L3MBTL1 (0.37) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9199090 0.87 CHRM1 (0.35) CHRM1FAAHCYP19A1MGLLSIGMAR1
SCHEMBL9199097 0.87 CHRM1 (0.35) CHRM1FAAHCYP19A1MGLLSIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411664-B1 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-01-18 EP disclosed
US-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0411664-A2 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed