SCHEMBL8029255

SCHEMBL8029255

O=C(NCCCCCCN(CCCS(=O)(=O)O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.57
PAX8 Q06710 1/20 0.57
TGM2 P21980 1/20 0.54
HTT P42858 1/20 0.53
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
FOLH1 Q04609 3/20 0.44
ANPEP P15144 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL8032596 0.87 CCR6 (0.64) CCR6PAX8TGM2HTTKEAP1
SCHEMBL9766156 0.86 HTT (0.69) CCR6PAX8TGM2HTTKEAP1
SCHEMBL17787485 0.86 HTT (0.58) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL3309927 0.85 HTT (0.67) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL917878 0.85 HTT (0.67) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL10025427 0.85 CCR6 (0.58) CCR6PAX8TGM2HTTKEAP1
SCHEMBL6559526 0.85 CCR6 (0.53) CCR6PAX8TGM2HTTKEAP1
SCHEMBL415526 0.85 CCR6 (0.60) CCR6PAX8TGM2HTTKEAP1
SCHEMBL2075425 0.85 CCR6 (0.60) CCR6PAX8TGM2HTTKEAP1
SCHEMBL411758 0.85 CCR6 (0.60) CCR6PAX8TGM2HTTKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed