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Sugi Predict / Compounds / SCHEMBL9028139

SCHEMBL9028139

SCHEMBL9028139

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1Cc1[nH]c(C(N)=O)nc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL9027684 0.89 ECE1 (0.35) ECE1CYP19A1CHRM1CA1CA2
SCHEMBL9028301 0.81 ECE1 (0.36) ECE1CYP19A1CHRM1CA1CA2
SCHEMBL9026386 0.81 CYP19A1 (0.32) CYP19A1
SCHEMBL9027798 0.80 ECE1 (0.36) ECE1CHRM1
SCHEMBL9026112 0.80 ECE1 (0.36) ECE1CHRM1
SCHEMBL9028144 0.80 ECE1 (0.34) ECE1CYP19A1CHRM1
SCHEMBL9215980 0.80 ECE1 (0.37) ECE1CYP19A1CHRM1
SCHEMBL8833492 0.80 ECE1 (0.37) ECE1CYP19A1CHRM1
SCHEMBL9027724 0.79 ECE1 (0.37) ECE1CYP19A1CHRM1
SCHEMBL9027719 0.79 ECE1 (0.37) ECE1CYP19A1CHRM1

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