SCHEMBL8975154

SCHEMBL8975154

O=CCC(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
GSK3B P49841 3/20 0.59
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HAO1 Q9UJM8 1/20 0.47
OGG1 O15527 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44

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
Water SCHEMBL27991728 0.98 HDAC1 (0.59) HDAC1HDAC8HDAC3HDAC4HDAC7
Methoxyamine SCHEMBL27908334 0.89 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3412166 0.81 GSK3B (0.57) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6975977 0.81 GSK3B (0.57) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4966553 0.80 NPC1 (0.56) CA1CA2NPC1HPGDRAB9A
SCHEMBL6832412 0.80 TSHR (0.55) CES2CES1CA1CA2ALDH1A1
SCHEMBL5731669 0.79 GSK3B (0.55) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL2562885 0.78 GSK3B (0.59) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL2561194 0.78 NPC1 (0.57) CES2CES1CA1CA2NPC1
SCHEMBL767242 0.78 KMT2A (0.59) HDAC1HDAC8HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116083077-A Boron difluoride complex luminescent material, preparation method thereof and application thereof in detecting VOCs 上海大学 2023-05-09 CN claimed
CN-111961004-B Method for preparing medical intermediate 2, 4, 6-triaryl pyrimidine derivative through catalysis 马鞍山市泰博化工科技有限公司 2021-11-12 CN claimed
CN-101417937-A Beta-aldehyde ketones antibacterial compounds and use thereof UNIV ZHONGSHAN (CN) 2009-04-29 CN claimed
CN-119409676-A Preparation method for synthesizing chiral beta-hydroxy propanal ethylene glycol with high enantioselectivity 贵州金之键高科技材料股份有限公司 2025-02-11 CN disclosed
CN-118271261-A Dicarbonyl compound containing cyclobutane segment and synthesis method thereof 中国科学技术大学 2024-07-02 CN disclosed
CN-117466817-A Preparation method of polysubstituted pyrazole derivative 华侨大学 2024-01-30 CN disclosed
CN-114989121-B Preparation method and application of 3,4, 6-trisubstituted pyrone 广州大学 2023-07-25 CN disclosed
CN-116083077-A Boron difluoride complex luminescent material, preparation method thereof and application thereof in detecting VOCs 上海大学 2023-05-09 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115093323-A Beta-functionalized chiral homoallyl alcohol derivative and preparation method and application thereof 武汉大学 2022-09-23 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-101417937-B Beta-aldehyde ketones antibacterial compounds and use thereof UNIV SUN YAT SEN 2013-05-29 CN disclosed
CN-101417937-A Beta-aldehyde ketones antibacterial compounds and use thereof UNIV ZHONGSHAN (CN) 2009-04-29 CN disclosed
CN-101128506-A Multifunctional copolymers containing rare earth metal complexes and devices thereof UNIV SINGAPORE (SG) 2008-02-20 CN disclosed
US-20070170844-A1 Organic light-emitting diodes and methods for assembly and emission control NORTHWESTERN UNIVERSITY 2007-07-26 US disclosed
EP-0404146-B1 Enantiomeric enrichment and stereoselective synthesis of chiral amines CELGENE CORP (US) 1996-03-20 EP disclosed
US-5300437-A Using omega-amino acid transaminase CELGENE CORPORATION (US) 1994-04-05 US disclosed
US-5169780-A Conversion to ketone in aqueous solution with amino acceptor and omega-amino acid acceptor; solvent extraction CELGENE CORPORATION (US) 1992-12-08 US disclosed
EP-0404146-A2 Enantiomeric enrichment and stereoselective synthesis of chiral amines CELGENE CORPORATION (US) 1990-12-27 EP disclosed
US-4950606-A CONTACTING IN AN AQUEOUS MEDIUM IN THE PRESENCE OF AN AMINO ACCEPTOR WITH AN OMEGA-AMINO ACID TRANSAMINASE TO CONVERT ONE OF AMINES TO KETONE CELGENE CORPORATION (US) 1990-08-21 US disclosed