SCHEMBL8098635

SCHEMBL8098635

COc1ccc(CCNC(=O)C(O)c2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
ADRB2 P07550 1/20 0.62
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59
MAPT P10636 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
CTSD P07339 1/20 0.59
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL4372703 0.90 GAA (0.55) KMT2AGAA
SCHEMBL4363542 0.90 GAA (0.55) KMT2AGAA
SCHEMBL4363659 0.90 GAA (0.55) KMT2AGAA
SCHEMBL742343 0.89 KMT2A (0.71) ALDH1A1ADRB2HPGDALOX12SMN1; SMN2
SCHEMBL6229114 0.88 ALDH1A1 (0.50) ALDH1A1ADRB2HPGDALOX12SMN1; SMN2
SCHEMBL6229108 0.88 ALDH1A1 (0.50) ALDH1A1ADRB2HPGDALOX12SMN1; SMN2
SCHEMBL8974937 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMAPTCA12
SCHEMBL8974540 0.88 GAA (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6094268 0.88 ALDH1A1 (0.62) ALDH1A1ADRB2HPGDALOX12SMN1; SMN2
SCHEMBL8428854 0.86 ALDH1A1 (0.61) ALDH1A1ADRB2HPGDALOX12SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed
US-6136819-A COMPOUNDS FOR ANTIINFLAMMATORY AGENTS OR CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM GMBH (DE) 2000-10-24 US disclosed
EP-0736011-B1 ANELLATED DIHYDROPYRIDINES AND THEIR USE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM INT (DE) 2000-07-26 EP disclosed
US-5968948-A FOR TREATMENT OF EPILEPSY, STROKE, ALZHEIMER'S DISEASE, BRAIN DISEASES OR AS ANTIINFLAMMATORY OR ANTIPROLIFERATIVE AGENTS BOERHINGER INGELHEIM GMBH (DE) 1999-10-19 US disclosed
US-5661157-A Annelated dihydropyridines and the use thereof for preparing pharmaceutical preparations BOEHRINGER INGELHEIM KG (DE) 1997-08-26 US disclosed
EP-0703899-A1 ARYLACETAMIDES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-04-03 EP disclosed
WO-1995017389-A1 ANELLATED DIHYDROPYRIDINES AND THEIR USE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1995-06-29 WO disclosed
WO-1994029267-A1 ARYLACETAMIDES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1994-12-22 WO disclosed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed