SCHEMBL7300899

SCHEMBL7300899

COc1cc(NC(C)=O)cc(OC)c1[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BRAF P15056 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 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
SCHEMBL6796229 0.79 MAPT (0.62) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL11621707 0.78 ALDH1A1 (0.66) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL10273174 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL15199253 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5208082 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL20561118 0.76 MAPT (0.48) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL20561121 0.76 MAPT (0.48) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL7300906 0.75 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL30492996 0.74 SMN1; SMN2 (0.68) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL1851780 0.74 SMN1; SMN2 (0.68) ALDH1A1LMNAMAPK1HTTSMN1; SMN2

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