SCHEMBL4309680

SCHEMBL4309680

CCCCCCCCCCC1=C(O)C(=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.49
MPEG1 Q2M385 11/20 0.49
GPR84 Q9NQS5 4/20 0.49
XIAP P98170 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
PTGES O14684 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1535483 1.00 ALOX5 (0.49) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL11086905 1.00 ALOX5 (0.49) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL11081517 1.00 ALOX5 (0.49) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL11080211 1.00 ALOX5 (0.49) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL28192948 1.00 ALOX5 (0.49) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL1535495 0.98 ALOX5 (0.46) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL1535488 0.92 ALOX5 (0.40) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL28925304 0.86 ALDH1A1 (0.48) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL28642404 0.86 ALDH1A1 (0.48) ALOX5MPEG1GPR84XIAPALDH1A1
SCHEMBL27644549 0.86 ALDH1A1 (0.48) ALOX5MPEG1GPR84XIAPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4428959-A 4-Alkylsubstituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase MERCK & CO., INC. (US) 1984-01-31 US claimed
EP-0037991-B1 4-ALKYLSUBSTITUTED-3-HYDROXY-2-PYRROLINE-2,5-DIONE COMPOUNDS FOR USE IN THE PREVENTION AND TREATMENT OF KIDNEY AND BLADDER STONES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM MERCK & CO. INC. (US) 1983-07-20 EP claimed
EP-0037991-A1 4-Alkylsubstituted-3-hydroxy-2-pyrroline-2,5-dione compounds for use in the prevention and treatment of kidney and bladder stones, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1981-10-21 EP claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20180187233-A1 SOLARGAS SYSTEM OPERATED IN MULTIPLE MODES SOLAGA UG (DE) 2018-07-05 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
US-4428959-A 4-Alkylsubstituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase MERCK & CO., INC. (US) 1984-01-31 US disclosed
EP-0037991-B1 4-ALKYLSUBSTITUTED-3-HYDROXY-2-PYRROLINE-2,5-DIONE COMPOUNDS FOR USE IN THE PREVENTION AND TREATMENT OF KIDNEY AND BLADDER STONES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM MERCK & CO. INC. (US) 1983-07-20 EP disclosed
EP-0037991-A1 4-Alkylsubstituted-3-hydroxy-2-pyrroline-2,5-dione compounds for use in the prevention and treatment of kidney and bladder stones, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1981-10-21 EP disclosed