SCHEMBL9028036

SCHEMBL9028036

C=CCOC(=O)N1CC(SC(=O)c2ccccc2)CC1Cc1cc(CCO)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.37
CHRM1 P11229 1/20 0.33
CYP19A1 P11511 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
SCHEMBL9028304 0.83 ECE1 (0.36) ECE1CHRM1CYP19A1
SCHEMBL9027688 0.83 ECE1 (0.34) ECE1CHRM1CYP19A1
SCHEMBL8833492 0.81 ECE1 (0.37) ECE1CHRM1CYP19A1
SCHEMBL9215980 0.81 ECE1 (0.37) ECE1CHRM1CYP19A1
SCHEMBL9028301 0.80 ECE1 (0.36) ECE1CHRM1CYP19A1
SCHEMBL9028029 0.79 ECE1 (0.34) ECE1CHRM1CYP19A1
SCHEMBL8833609 0.79 ECE1 (0.38) ECE1CHRM1CYP19A1
SCHEMBL9027684 0.77 ECE1 (0.35) ECE1CHRM1CYP19A1
SCHEMBL9028144 0.77 ECE1 (0.34) ECE1CHRM1CYP19A1
SCHEMBL9027387 0.77 MMP2 (0.31) CYP19A1

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