SCHEMBL7300906

SCHEMBL7300906

COc1cc(NC(C)=O)cc(OC)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 6/20 0.49
HTT P42858 3/20 0.49
ALOX15 P16050 1/20 0.49
ERN1 O75460 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6796229 0.79 MAPT (0.62) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL11236178 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL9444240 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL10273174 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL15199253 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL5208082 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL20561121 0.76 MAPT (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL20561118 0.76 MAPT (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL1248863 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL7300899 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed