SCHEMBL7276346

SCHEMBL7276346

CS(=O)(=O)O[C@@H](CO)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HSD11B1 P28845 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AADAT Q8N5Z0 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL8951498 1.00 TDP1 (0.49) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7276340 1.00 TDP1 (0.49) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8555666 0.78 TDP1 (0.49) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8552133 0.76 ALDH1A1 (0.56) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8552131 0.76 ALDH1A1 (0.56) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8860083 0.72 ALDH1A1 (0.51) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8860080 0.72 ALDH1A1 (0.51) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL14866021 0.72 TDP1 (0.58) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8799111 0.71 TDP1 (0.54) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8799115 0.71 TDP1 (0.54) TDP1ALDH1A1GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580999-A Alcohols HOFFMANN-LA ROCHE INC. (US) 1996-12-03 — — US disclosed
US-5571920-A Alcohols HOFFMANN-LA ROCHE INC. (US) 1996-11-05 — — US disclosed
EP-0432694-B1 Aminoalcohols HOFFMANN LA ROCHE (CH) 1996-05-29 — — EP disclosed
US-5516913-A Alcohols HOFFMANN-LA ROCHE INC. (US) 1996-05-14 — — US disclosed
US-5508430-A Oxirane intermediates for novel alcohols HOFFMANN-LA ROCHE INC. (US) 1996-04-16 — — US disclosed
US-5488115-A Alcohols HOFFMANN-LA ROCHE INC. (US) 1996-01-30 — — US disclosed
US-5451678-A Intermediates for viricides HOFFMANN-LA ROCHE INC. (US) 1995-09-19 — — US disclosed
EP-0657419-A1 Alcohols F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 — — EP disclosed
EP-0432694-A2 Aminoalcohols F. HOFFMANN-LA ROCHE AG (CH) 1991-06-19 — — EP disclosed
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