SCHEMBL80453

SCHEMBL80453

CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CYP26A1 O43174 1/20 0.46
PADI1 Q9ULC6 4/20 0.46
PADI4 Q9UM07 4/20 0.46
PDE4A P27815 3/20 0.46
PADI2 Q9Y2J8 3/20 0.46
PADI3 Q9ULW8 3/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PADI6 Q6TGC4 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NAAA Q02083 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
CTSL P07711 1/20 0.41
P2RY12 Q9H244 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL562113 1.00 BCHE (0.47) BCHEACHECYP26A1PADI1PADI4
SCHEMBL15739025 0.99 BCHE (0.46) BCHEACHECYP26A1PADI1PADI4
Hydrochloric Acid SCHEMBL538996 0.99 BCHE (0.46) BCHEACHECYP26A1PADI1PADI4
Hydrochloric Acid SCHEMBL11325263 0.99 BCHE (0.46) BCHEACHECYP26A1PADI1PADI4
SCHEMBL1396385 0.91 BCHE (0.48) BCHEACHECYP26A1PADI1PADI4
SCHEMBL15271466 0.91 BCHE (0.48) BCHEACHECYP26A1PADI1PADI4
SCHEMBL158087 0.91 CA1 (0.54) CYP26A1PADI1PADI4PDE4APADI2
SCHEMBL31206858 0.91 CA1 (0.54) CYP26A1PADI1PADI4PDE4APADI2
SCHEMBL16289858 0.91 CA1 (0.54) CYP26A1PADI1PADI4PDE4APADI2
Hydrochloric Acid SCHEMBL29401063 0.89 CA1 (0.53) CYP26A1PADI1PADI4PDE4APADI2

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 1955 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731758-A2 ANTIGEN-SPECIFIC T CELL RECEPTORS AND CHIMERIC ANTIGEN RECEPTORS, AND METHODS OF USE IN IMMUNE SIGNALING MODULATION FOR CANCER IMMUNOTHERAPY The Methodist Hospital (US) 2026-04-29 EP claimed
EP-4558529-A1 ANTIBODIES BINDING TO HUMAN PAD4 AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-28 EP claimed
CN-119604537-A Antibodies that bind to human PAD4 and uses thereof 百时美施贵宝公司 2025-03-11 CN claimed
WO-2024263821-A2 ANTIGEN-SPECIFIC T CELL RECEPTORS AND CHIMERIC ANTIGEN RECEPTORS, AND METHODS OF USE IN IMMUNE SIGNALING MODULATION FOR CANCER IMMUNOTHERAPY THE METHODIST HOSPITAL (US) 2024-12-26 WO claimed
US-20240366731-A1 ORAL ALGAL OIL BASED GASTRO-INTESTINAL TRACT PERMEABLE PEPTIDE COMPOSITION Celagenex Research (India) Pvt. Ltd. (IN) 2024-11-07 US claimed
CN-118425377-A Method for simultaneously detecting 4-guanidine butyl-3- (cyclopropylmethoxy) -4- (difluoromethoxy) benzoic acid and metabolite thereof 中国海洋大学 2024-08-02 CN claimed
CN-118345026-A Preparation and application of universal high-activity mouse pancreas in-vitro tissue single cell suspension 上海交通大学医学院 2024-07-16 CN claimed
CN-118285483-A Rolling and kneading raw meat product production method 山东中粹生态发展有限公司 2024-07-05 CN claimed
US-20240051832-A1 METHODS AND SYSTEMS FOR PRODUCING SOLID INORGANIC CARBONATE AND BICARBONATE COMPOUNDS CORNELL UNIVERSITY (US) 2024-02-15 US claimed
WO-2024020579-A1 ANTIBODIES BINDING TO HUMAN PAD4 AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO claimed
EP-1456228-B1 METHOD OF ISOLATION AND PURIFICATION OF TRYPSIN FROM PRONASE AND USE THEREOF BAXTER HEALTHCARE SA (CH) 2011-05-04 EP claimed
WO-2009023538-A1 METHODS AND DEVICES FOR DETECTING THROMBIN GENERATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-02-19 WO claimed
US-7422892-B2 Enzyme-based device for environmental monitoring AGENTASE, LLC (US) 2008-09-09 US claimed
US-20060073490-A1 Enzyme-based device for environmental monitoring FLIR DETECTION, INC. 2006-04-06 US claimed
US-20010034323-A1 Superoxygenating blood substitutes based on hemoglobin, nitric oxide and cyclic GMP generating compositions ROONEY MICHAEL W (US) 2001-10-25 US claimed
US-6187744-B1 TIME-CONTROLLED SUPEROXYGENATING COMPOSITIONS THAT COMPRISE HEMOGLOBIN COLLOID AND GUANOSINE 3':5'-CYCLIC MONOPHOSPHATE (CYCLIC GMP) GENERATING COMPOUNDS ROONEY MICHAEL W (US) 2001-02-13 US claimed
WO-1994016740-A1 THE USE OF NITRIC OXIDE-DELIVERING COMPOUNDS FOR THE TREATMENT OR PREVENTION OF ALCOHOLIC LIVER INJURY BRIGHAM AND WOMEN'S HOSPITAL (US) 1994-08-04 WO claimed
US-4970152-A Reagents for determining peptidoglycan and β-1,3-glucan WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-13 US claimed
US-4493891-A CALIBRATION WITH ELASTASEEMPHYSEMA DIAGNOSIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-01-15 US claimed
US-3930950-A METHOD OF IMMOBILIZING AN ENZYME THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-01-06 US claimed