SCHEMBL9567199

SCHEMBL9567199

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
FAAH O00519 3/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
MGLL Q99685 1/20 0.34
CYP19A1 P11511 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
F2 P00734 2/20 0.32
ELANE P08246 2/20 0.32
CTSG P08311 1/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
AGTR2 P50052 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL9567198 1.00 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567202 1.00 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9201263 0.89 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9201254 0.89 CHRM1 (0.38) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9198124 0.89 CHRM1 (0.40) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567126 0.89 CHRM1 (0.35) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567127 0.89 CHRM1 (0.35) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567208 0.88 CHRM1 (0.37) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567211 0.88 CHRM1 (0.37) CHRM1FAAHLMNAMAPK1RAB9A
SCHEMBL9567100 0.88 CHRM1 (0.39) CHRM1FAAHLMNAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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