SCHEMBL6896852

SCHEMBL6896852

O=C(O)C(CCO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.79
POLB P06746 4/20 0.79
KDM4E B2RXH2 1/20 0.79
TP53 P04637 1/20 0.79
GLA P06280 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
HPGD P15428 1/20 0.79
ALOX12 P18054 1/20 0.79
NFKB1 P19838 1/20 0.79
APEX1 P27695 1/20 0.79
MAPK1 P28482 1/20 0.79
HSD17B10 Q99714 1/20 0.79
GAA P10253 2/20 0.66
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
HIF1A Q16665 1/20 0.54
AADAT Q8N5Z0 1/20 0.51
DNMT1 P26358 6/20 0.51

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
SCHEMBL6896845 1.00 ALDH1A1 (0.79) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL30587607 0.89 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL5828004 0.89 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL5828001 0.89 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL29763164 0.88 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL411110 0.88 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL411173 0.88 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL14991107 0.88 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL441970 0.88 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7285516 0.88 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-5756832-A REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL BRISTOL-MYERS SQUIBB CO. (US) 1998-05-26 US disclosed
US-5672599-A DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 US disclosed
US-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5616775-A ESTERIFYING A N-PROTECTED METHIONINE; OXIDIZING; REACTING WITH AN ACID ANHYDRIDE THEN AN ALKALI METAL HYDROXIDE BRISTOL-MYERS SQUIBB CO. (US) 1997-04-01 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed