SCHEMBL44044

SCHEMBL44044

NNC(=O)CCCc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.54
FAAH O00519 5/20 0.54
DDAH1 O94760 1/20 0.42
HSP90AA1 P07900 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 2/20 0.42
KDM1A O60341 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
AOC2 O75106 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Hydrochloric Acid SCHEMBL443354 0.99 MGLL (0.52) MGLLFAAHDDAH1HSP90AA1NPSR1
Hydrochloric Acid SCHEMBL44524 0.99 MGLL (0.52) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL28390770 0.96 MGLL (0.56) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL13996136 0.85 MGLL (0.57) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL741572 0.84 MGLL (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL15811640 0.83 MGLL (0.49) MGLLFAAHPKMALDH1A1
SCHEMBL29164209 0.83 MGLL (0.44) MGLLFAAHDDAH1HSP90AA1NPSR1
Water SCHEMBL17644778 0.83 MGLL (0.58) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL13512632 0.83 MGLL (0.55) MGLLFAAHDDAH1HSP90AA1NPSR1
Hydrazine SCHEMBL27822007 0.82 MGLL (0.56) MGLLFAAHDDAH1HSP90AA1NPSR1

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

Appears in 3816 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12330138-B2 Surface functionalised materials for sampling biological molecules JONES, Paul Antonio (GB) 2025-06-17 US claimed
EP-3765188-B1 SURFACE FUNCTIONALISED MATERIALS FOR SAMPLING BIOLOGICAL MOLECULES JONES PAUL ANTONIO (GB) 2025-04-16 EP claimed
WO-2025054602-A1 PROTEIN FOR THE SEROLOGICAL DETECTION OF STREPTOCOCCUS EQUI SUBSPECIES EQUI EXPOSURE OR INFECTION THE TEXAS A&M UNIVERSITY SYSTEM (US) 2025-03-13 WO claimed
WO-2025027389-A1 BIOLOGICALLY ACTIVE COMPOUNDS COMPRISING A STAPLED OR STITCHED PEPTIDE SUTURA THERAPEUTICS LIMITED (GB) 2025-02-06 WO claimed
CN-113466456-B ELISA kit for detecting alpha fetoprotein heteroplasmic AFP-L3 for early diagnosis of liver cancer and detection method 中国人民解放军联勤保障部队第九〇〇医院 2024-10-29 CN claimed
US-20240052005-A1 IMPROVED CELL-PENETRATING PEPTIDES AND FUSION PROTEINS ANASTASIS BIOTEC LIMITED (GB) 2024-02-15 US claimed
EP-4263582-A1 IMPROVED CELL-PENETRATING PEPTIDES AND FUSION PROTEINS Anastasis Biotec Limited (GB) 2023-10-25 EP claimed
CN-116068167-A Separation and detection method of extracellular biomacromolecule 厦门福流生物科技有限公司 2023-05-05 CN claimed
EP-4154000-A1 MICROBEADS AND USES THEREOF Shanghai Polaris Biology Co., Ltd. (CN) 2023-03-29 EP claimed
US-11576896-B2 Benzoselenophene-based compounds, pharmaceutical compositions and antibody-drug conjugates including the same AIMED BIO INC. (KR) 2023-02-14 US claimed
EP-1506399-A2 METHODS AND COMPOSITIONS FOR ANALYZING PROTEINS Aclara BioSciences, Inc. (US) 2005-02-16 EP claimed
WO-2004071536-A1 CONJUGATES FOR MEDICAL IMAGING COMPRISING CARRIER, TARGETING MOIETY AND A CONTRAST AGENT UPPERTON LIMITED (GB) 2004-08-26 WO claimed
WO-2004032971-A1 PHARMACEUTICALLY ACTIVE OLIGOSACCHARIDE CONJUGATES FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2004-04-22 WO claimed
US-20030013126-A1 Methods and compositions for analyzing proteins MONOGRAM BIOSCIENCES, INC. 2003-01-16 US claimed
US-20020197649-A1 Catalytic amplification of multiplexed assay signals MONOGRAM BIOSCIENCES, INC. 2002-12-26 US claimed
WO-2002097112-A2 CATALYTIC AMPLIFICATION OF MULTIPLEXED ASSAY SIGNALS ACLARA BIOSCIENCES, INC. (US) 2002-12-05 WO claimed
WO-2002095356-A2 METHODS AND COMPOSITIONS FOR ANALYZING PROTEINS ACLARA BIOSCIENCES, INC. (US) 2002-11-28 WO claimed
EP-0752102-B1 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF PASTEUR SANOFI DIAGNOSTICS (FR) 2000-11-15 EP claimed
US-6027874-A IMMUNOASSAY BY CONTACTING SAMPLE WITH CONJUGATE OF GLYCOSYLATED LABELING ENZYMES AND IMMUNOLOGICAL SUBSTANCE, AND DETECTING COMPLEX FORMED; FOR INCREASED SENSITIVITY OF VIRAL INFECTIONS PASTEUR SANOFI DIAGNOSTICS (FR) 2000-02-22 US claimed
US-5329028-A Couplers for aldehydes and thiols GENENTECH, INC. (US) 1994-07-12 US claimed