SCHEMBL8041524

SCHEMBL8041524

CC(C)(C)OC(=O)NCc1nc(CO)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
PTPRB P23467 2/20 0.43
KDM4A O75164 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PDPK1 O15530 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18136859 0.89 HDAC3 (0.47) HDAC3HDAC1HDAC6PTPRBKDM4A
SCHEMBL8053542 0.88 HDAC3 (0.46) HDAC3HDAC1HDAC6PTPRBKDM4A
SCHEMBL17136360 0.88 HDAC3 (0.48) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL8052888 0.86 HDAC3 (0.45) HDAC3HDAC1HDAC6PTPRBKDM4A
SCHEMBL18605667 0.86 HDAC3 (0.45) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL28684742 0.85 HDAC3 (0.45) HDAC3HDAC1HDAC6PTPRBKDM4A
SCHEMBL215719 0.83 HDAC3 (0.51) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL16020352 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL8053686 0.82 SMN1; SMN2 (0.54) PTPRBLMNAMEN1GAAKMT2A
SCHEMBL21812995 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC6PTPRBKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed
EP-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
CN-1046286-C Novel cephem derivatives MEIJI SEIKA CO (JP) 1999-11-10 CN disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
CN-1114507-A Novel cephem derivatives MEIJI SEIKA CO (JP) 1996-01-03 CN disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed