SCHEMBL528539

SCHEMBL528539

CC(COC(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 2/20 0.56
CYP2D6 P10635 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 2/20 0.47
SLC1A5 Q15758 1/20 0.44
GRIA4 P48058 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
FFAR1 O14842 2/20 0.42
MAPT P10636 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
SCHEMBL20563823 1.00 CYP1A2 (0.56) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL28958757 0.90 CYP1A2 (0.68) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL4590669 0.90 CYP1A2 (0.68) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL4589554 0.90 CYP1A2 (0.68) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL528806 0.83 SMN1; SMN2 (0.51) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL11489425 0.81 PTGS2 (0.55) PTGS2KDM4EGRIA4LMNAGAA
SCHEMBL12327023 0.81 LMNA (0.59) CYP1A2SMN1; SMN2NPSR1PTGS2LMNA
SCHEMBL3468423 0.80 ALOX5 (0.47) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL29213688 0.80 ALOX5 (0.47) CYP1A2SMN1; SMN2PKMCYP2D6NPSR1
SCHEMBL10885505 0.78 PTGS2 (0.47) CYP1A2SMN1; SMN2PKMPTGS2GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO claimed
EP-4724418-A1 TRICINE AND CITRIC ACID-BASED CATIONIC LIPIDS Sanofi (FR) 2026-04-15 EP disclosed
WO-2025151874-A1 INDOLE ALKALOID ANTIPLASMODIAL AGENTS AND PREPARATION THEREOF UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-07-17 WO disclosed
WO-2025104706-A2 SMALL MOLECULE MODULATORS OF MAS AND MRGD RECEPTORS XITRA THERAPEUTICS GMBH (DE) 2025-05-22 WO disclosed
EP-4554671-A1 CYCLIC PEPTIDE INHIBITORS OF IL-23 JANSSEN Pharmaceutica NV (BE) 2025-05-21 EP disclosed
EP-4486336-A2 CB1 LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2025-01-08 EP disclosed
WO-2025003759-A1 DIANHYDROHEXITOL BASED IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY SANOFI (FR) 2025-01-02 WO disclosed
EP-4475837-A2 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2024-12-18 EP disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
EP-4340859-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS Biohaven Therapeutics Ltd. (US) 2024-03-27 EP disclosed
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO disclosed
EP-1727801-A1 PIPERAZINES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2006-12-06 EP disclosed
EP-1664041-A1 PHENYL-CARBOXAMIDE COMPOUNDS USEFUL FOR TREATING PAIN Euro-Celtique S.A. (LU) 2006-06-07 EP disclosed
WO-2005066130-A1 PIPERAZINES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-07-21 WO disclosed
WO-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 WO disclosed
WO-2005030766-A1 PHENYL - CARBOXAMIDE COMPOUNDS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-07 WO disclosed
EP-0783519-A1 NEW PEPTIDES WITH IMMUNOMODULATORY EFFECTS Astra Aktiebolag (SE) 1997-07-16 EP disclosed
WO-1996011943-A1 NEW PEPTIDES WITH IMMUNOMODULATORY EFFECTS ASTRA AKTIEBOLAG (SE) 1996-04-25 WO disclosed
EP-0651761-A1 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1995-05-10 EP disclosed
WO-1994001451-A2 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1994-01-20 WO disclosed