SCHEMBL9016521

SCHEMBL9016521

O=C(O)COc1ccccc1CC=NO

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ PTGDR2 Q9Y5Y4 8/20 0.51
▸ POLB P06746 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 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
SCHEMBL9016406 1.00 L3MBTL1 (0.56) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL9016404 1.00 L3MBTL1 (0.56) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL9016474 0.84 L3MBTL1 (0.56) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL9016489 0.84 L3MBTL1 (0.56) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL869669 0.81 PTGDR2 (0.64) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL3409855 0.76 L3MBTL1 (0.67) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL266662 0.76 L3MBTL1 (0.72) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL503961 0.76 L3MBTL1 (0.77) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL29682135 0.75 L3MBTL1 (0.80) L3MBTL1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL340762 0.75 L3MBTL1 (0.80) L3MBTL1PTGDR2POLBSMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574153-A BACTERICIDES ACS DOBFAR S.P.A. (IT) 1996-11-12 — — US disclosed
EP-0638574-A1 Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR S.p.A. (IT) 1995-02-15 — — EP disclosed
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