SCHEMBL9059569

SCHEMBL9059569

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1Cc1cnn(C)c1CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.36
CHRM1 P11229 1/20 0.35
CYP19A1 P11511 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9027722 0.83 ECE1 (0.38) ECE1CHRM1CYP19A1SIGMAR1KMT2A
SCHEMBL8834048 0.83 ECE1 (0.38) ECE1CHRM1CYP19A1SIGMAR1KMT2A
SCHEMBL8832778 0.83 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1MEN1
SCHEMBL8832957 0.82 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1MEN1
SCHEMBL9033190 0.82 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1MEN1
SCHEMBL9025782 0.82 ECE1 (0.37) ECE1CHRM1CYP19A1MEN1KMT2A
SCHEMBL9025780 0.82 ECE1 (0.37) ECE1CHRM1CYP19A1MEN1KMT2A
SCHEMBL9213699 0.81 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1MEN1
SCHEMBL8833096 0.81 ECE1 (0.36) ECE1CHRM1CYP19A1SIGMAR1MEN1
SCHEMBL9215980 0.80 ECE1 (0.37) ECE1CHRM1CYP19A1MEN1KMT2A

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed