SCHEMBL9691377

SCHEMBL9691377

CC(C)(C)OC(=O)CON=C(C(=O)O)c1nc(N)sc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9691362 1.00 COPS5 (0.32) COPS5ALDH1A1CYP1A2KDM4EPKM
SCHEMBL9691524 0.86 COPS5 (0.32) COPS5ALDH1A1CYP1A2
SCHEMBL9691533 0.86 COPS5 (0.32) COPS5ALDH1A1CYP1A2
SCHEMBL10898801 0.83 ALDH1A1 (0.42) COPS5ALDH1A1CYP1A2KDM4EPKM
SCHEMBL10898804 0.83 ALDH1A1 (0.42) COPS5ALDH1A1CYP1A2KDM4EPKM
SCHEMBL9331996 0.82 ALDH1A1 (0.31) ALDH1A1CYP1A2KDM4EPKMSMN1; SMN2
SCHEMBL16037309 0.82 STK17B (0.39)
SCHEMBL9482619 0.81
SCHEMBL10466816 0.81 GCK (0.34)
SCHEMBL10466403 0.81

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