SCHEMBL487780

SCHEMBL487780

CCC(C(=O)O)c1ccccc1N1C(=O)C=CC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.57
▸ FAAH O00519 1/20 0.57
▸ TLR9 Q9NR96 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ HSP90AA1 P07900 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ BCHE P06276 1/20 0.40
▸ HTR1A P08908 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ KCNQ2 O43526 4/20 0.37
▸ MITF O75030 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL16628549 0.87 MGLL (0.55) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL28794436 0.84 PPARG (0.46) ALDH1A1HTR1AADRA1AKCNQ2
SCHEMBL19994461 0.83 MGLL (0.51) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL28411421 0.82 MGLL (0.66) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL8612836 0.78 MGLL (0.55) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL3875399 0.78 MGLL (0.69) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL29707903 0.73 MGLL (1.00) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL3482778 0.73 MGLL (1.00) MGLLFAAHTLR9ALDH1A1HSP90AA1
SCHEMBL3414901 0.72 MGLL (0.54) MGLLFAAHALDH1A1HSP90AA1NPSR1
SCHEMBL6773227 0.72 TSHR (0.57) ALDH1A1CYP1A2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410991-A1 ORALLY BIOAVAILABLE LIPID-BASED CONSTRUCTS SDG, INC. (an Ohio Corporation ) (US) 2012-02-01 — — EP claimed
EP-0968223-B1 BIOCONJUGATION OF MACROMOLECULES SIGMA ALDRICH CO LLC (US) 2016-12-21 — — EP disclosed
EP-2256133-B1 Bioconjugation of macromolecules SIGMA ALDRICH CO LLC (US) 2016-12-14 — — EP disclosed
EP-2319854-B1 Bioconjugation Of Macromolecules SIGMA ALDRICH CO LLC (US) 2016-11-30 — — EP disclosed
EP-2319855-B1 Bioconjugation of Macromolecules SIGMA ALDRICH CO LLC (US) 2016-04-06 — — EP disclosed
WO-2011041003-A9 COMPOSITIONS AND METHODS FOR PREPARING STAPHYLOCOCCUS AUREUS SEROTYPE 5 AND 8 CAPSULAR POLYSACCHARIDE CONJUGATE IMMUNOGENIC COMPOSITIONS WYETH LLC (US) 2011-06-09 — — WO disclosed
EP-2319855-A1 Bioconjugation of Macromolecules Sigma-Aldrich Co. (US) 2011-05-11 — — EP disclosed
EP-2319854-A1 Bioconjugation Of Macromolecules Sigma-Aldrich Co. (US) 2011-05-11 — — EP disclosed
WO-2011041003-A2 COMPOSITIONS AND METHODS FOR PREPARING STAPHYLOCOCCUS AUREUS SEROTYPE 5 AND 8 CAPSULAR POLYSACCHARIDE CONJUGATE IMMUNOGENIC COMPOSITIONS WYETH LLC (US) 2011-04-07 — — WO disclosed
EP-2256133-A1 Bioconjugation of macromolecules Sigma-Aldrich Co. (US) 2010-12-01 — — EP disclosed
WO-1999013919-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-03-25 — — WO disclosed
WO-1998030575-A1 BIOCONJUGATION OF MACROMOLECULES PROLIGO LLC (US) 1998-07-16 — — WO disclosed
EP-0833613-A1 DELIVERY VEHICLES COMPRISING STABLE LIPID/NUCLEIC ACID COMPLEXES SOMATIX THERAPY CORPORATION (US) 1998-04-08 — — EP disclosed
EP-0831932-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1998-04-01 — — EP disclosed
WO-1997045069-A9 CATIONIC POLYMER/LIPID NUCLEIC ACID DELIVERY VEHICLES — 1998-03-26 — — WO disclosed
WO-1997045069-A1 CATIONIC POLYMER/LIPID NUCLEIC ACID DELIVERY VEHICLES CELL GENESYS, INC. (US) 1997-12-04 — — WO disclosed
EP-0434317-B1 Immunoadsorbents CROSFIELD JOSEPH & SONS (GB) 1997-03-05 — — EP disclosed
WO-1996040285-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1996-12-19 — — WO disclosed
WO-1996037194-A1 DELIVERY VEHICLES COMPRISING STABLE LIPID/NUCLEIC ACID COMPLEXES SOMATIX THERAPY CORPORATION (US) 1996-11-28 — — WO disclosed
EP-0434317-A1 Immunoadsorbents CROSFIELD LIMITED (GB) 1991-06-26 — — EP disclosed
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