SCHEMBL6558520

SCHEMBL6558520

CS(=O)(=O)OCCNCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
LTA4H P09960 4/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 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
SCHEMBL13898941 0.82 LTA4H (0.50) CA1CA2LTA4HALDH1A1MAPK1
SCHEMBL17505957 0.82 CA1 (0.55) CA1CA2LTA4HALDH1A1MAPK1
SCHEMBL3524616 0.81 LMNA (0.68) CA1CA2ALDH1A1L3MBTL1LMNA
SCHEMBL18681531 0.80 SMN1; SMN2 (0.49) CA1CA2LTA4HALDH1A1MAPK1
SCHEMBL9293364 0.80 ALDH1A1 (0.54) CA1CA2LTA4HALDH1A1MAPK1
SCHEMBL17275355 0.80 LTA4H (0.50) CA1CA2LTA4HALDH1A1MAPK1
SCHEMBL25181806 0.79 LMNA (0.52) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL7695939 0.79 ALDH1A1 (0.66) CA1CA2ALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL11013718 0.79 ALDH1A1 (0.53) CA1CA2LTA4HALDH1A1MAPK1
SCHEMBL3705526 0.78 SMN1; SMN2 (0.54) CA1CA2LTA4HALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100762-B1 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2004-03-10 EP disclosed
US-6506738-B1 Treatment of viral infections. More particularly, the invention provides benzimidazolone derivatives for the treatment of respiratory syncytial virus infection. BRISTOL-MYERS SQUIBB COMPANY 2003-01-14 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
WO-2002026228-A1 BENZIMIDAZOLONE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-04 WO disclosed
EP-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed