SCHEMBL9691533

SCHEMBL9691533

CC(C)(C)OC(=O)CON=C(C(=O)O)c1nc(N)sc1Br

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9691524 1.00 COPS5 (0.32) COPS5ALDH1A1CYP1A2
SCHEMBL9691377 0.86 COPS5 (0.32) COPS5ALDH1A1CYP1A2
SCHEMBL9691362 0.86 COPS5 (0.32) COPS5ALDH1A1CYP1A2
SCHEMBL8818161 0.82 ALDH1A1 (0.41) COPS5ALDH1A1CYP1A2
SCHEMBL8818146 0.82 ALDH1A1 (0.41) COPS5ALDH1A1CYP1A2
SCHEMBL8816759 0.79 ALDH1A1 (0.33) COPS5ALDH1A1CYP1A2
SCHEMBL8816758 0.79 ALDH1A1 (0.33) COPS5ALDH1A1CYP1A2
SCHEMBL11375087 0.78 ALDH1A1 (0.38) COPS5ALDH1A1CYP1A2
SCHEMBL7763021 0.76 ALDH1A1 (0.33) COPS5ALDH1A1CYP1A2
SCHEMBL7763024 0.76 ALDH1A1 (0.33) COPS5ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed