SCHEMBL6559526

SCHEMBL6559526

CS(=O)(=O)OCCN(CCCCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.53
PAX8 Q06710 1/20 0.53
TGM2 P21980 1/20 0.50
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
FOLH1 Q04609 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
ANPEP P15144 1/20 0.41

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
SCHEMBL27464982 0.91 LMNA (0.52) CCR6PAX8TGM2HTTLMNA
SCHEMBL13661577 0.86 CCR6 (0.52) CCR6PAX8L3MBTL1CA1CA2
SCHEMBL10954785 0.85 TGM2 (0.60) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15055271 0.85 CCR6 (0.51) CCR6PAX8TGM2LMNASMN1; SMN2
SCHEMBL8029255 0.85 CCR6 (0.57) CCR6PAX8TGM2HTTLMNA
SCHEMBL13661588 0.85 CCR6 (0.53) CCR6PAX8L3MBTL1CA1CA2
SCHEMBL2453446 0.84 HTT (0.60) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15841146 0.84 CCR6 (0.50) CCR6PAX8TGM2LMNAL3MBTL1
SCHEMBL8032596 0.83 CCR6 (0.64) CCR6PAX8TGM2HTTLMNA
SCHEMBL3445880 0.83 HTT (0.62) TGM2HTTLMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151165-C Macrolides with anti-inflammatory activity �ź㴫 2004-05-26 CN disclosed
EP-1100762-B1 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2004-03-10 EP disclosed
EP-1100806-B1 ERYTHROMYCIN DERIVATIVE WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2003-11-19 EP disclosed
US-6583120-B1 Grampositive and gramnegative bacterial growth regulators having improved efficiency, used for preventing infections in humans and as veterinary medicine ZAMBON GROUP S.A. (IT) 2003-06-24 US disclosed
US-6468979-B1 ERYTHROMYCIN DERIVATIVES WITH BIHETEROCYCLIC GROUP AS SUBSTITUENT AT END OF CHAIN HAVE PARTICULARLY BROAD SPECTRUM OF ACTIVITY AND LONG DURATION OF ACTION ZAMBON GROUP S.P.A. (IT) 2002-10-22 US disclosed
CN-1336932-A Macrolides with anti-inflammatory activity ZAMBON SPA (IT) 2002-02-20 CN disclosed
EP-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
EP-1100806-A1 ERYTHROMYCIN DERIVATIVE WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006586-A1 ERYTHROMYCIN DERIVATIVE WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed