SCHEMBL8032622

SCHEMBL8032622

CCOC(=O)CNC(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYP3A4 P08684 1/20 0.50
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CAPN1 P07384 1/20 0.43
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
CTSK P43235 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7405019 0.94 GAA (0.64) GAATDP1MAOAMAOBCYP3A4
SCHEMBL25827510 0.90 GAA (0.54) GAATDP1MAOAMAOBCYP3A4
SCHEMBL9555151 0.89 GAA (0.53) GAATDP1MAOAMAOBCYP3A4
SCHEMBL5653695 0.88 TDP1 (0.61) GAATDP1MAOAMAOBCYP3A4
SCHEMBL29256392 0.88 TDP1 (0.61) GAATDP1MAOAMAOBCYP3A4
SCHEMBL7158127 0.88 TDP1 (0.61) GAATDP1MAOAMAOBCYP3A4
SCHEMBL25827367 0.88 GAA (0.58) GAATDP1MAOAMAOBCA1
SCHEMBL25095054 0.87 TDP1 (0.58) GAATDP1MAOAMAOBCYP3A4
SCHEMBL7207224 0.85 TDP1 (0.69) GAATDP1MAOAMAOBCYP3A4
SCHEMBL22381487 0.84 MAOA (0.64) GAATDP1MAOAMAOBCA1

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-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed
CN-1046535-C Erythromycin A 9-0-oxime derivatives endowed with antibiotic activity ZAMBON SPA (IT) 1999-11-17 CN disclosed
US-5847092-A Erythromycin A 9-0 oxime derivatives endowed with antibiotic activity ZAMBON GROUP S.P.A. (IT) 1998-12-08 US disclosed
CN-1169727-A Erythromycin A 9-0-oxime derivatives endowed with antibiotic activity ZAMBON SPA (IT) 1998-01-07 CN disclosed
EP-0797579-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-10-01 EP disclosed
WO-1996018633-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-06-20 WO disclosed