SCHEMBL8170387

SCHEMBL8170387

[2H]C(CC(C)C)(C(=O)N(CC(=O)O)c1ccccc1)C(C)S

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40

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
SCHEMBL8167060 0.83 MLYCD (0.42) MLYCD
SCHEMBL11819600 0.79 MLYCD (0.48) MLYCD
SCHEMBL8168647 0.78
SCHEMBL8074241 0.77 GPR88 (0.44) MLYCD
SCHEMBL8074243 0.77 GPR88 (0.44) MLYCD
SCHEMBL9716707 0.76 MLYCD (0.61) MLYCD
SCHEMBL8167377 0.74 ACE (0.53) MLYCD
SCHEMBL8165475 0.74
SCHEMBL6047685 0.73 MLYCD (0.48) MLYCD
SCHEMBL11800781 0.73 MLYCD (0.48) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US claimed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP claimed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO claimed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed