SCHEMBL6579990

SCHEMBL6579990

CCOC(=O)C(Br)C(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.53
KMT2A Q03164 2/20 0.52
PIN1 Q13526 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL31198083 0.86 LMNA (0.50) KMT2ANPC1SMN1; SMN2GAA
SCHEMBL2967224 0.86 MEN1 (0.44) MMP8KMT2APIN1MEN1SMN1; SMN2
SCHEMBL31198054 0.86 MAPT (0.46) MMP8KMT2AMEN1SMN1; SMN2GAA
SCHEMBL9629339 0.84 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1
SCHEMBL12020290 0.84 ESR1 (0.49) KMT2ASMN1; SMN2TSHRGAATDP1
SCHEMBL5861489 0.84 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1
SCHEMBL27638557 0.84 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1
SCHEMBL31198050 0.83 TSHR (0.50) KMT2ANPC1SMN1; SMN2TSHRTDP1
SCHEMBL31198124 0.83 ALDH1A1 (0.41) MMP8TSHRTDP1
SCHEMBL31198087 0.83 MMP8 (0.44) MMP8TSHRGAAPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO claimed
CN-118930434-A 2, 3-Dibromopropionate compound, and preparation method and application thereof 陕西省生物农业研究所 2024-11-12 CN disclosed
CN-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 CN disclosed
EP-0737680-B1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2004-03-03 EP disclosed
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
EP-0737680-A1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds Kali-Chemie Pharma GmbH (DE) 1996-10-16 EP disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
US-5407783-A Thermostability, shelf life E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-04-18 US disclosed
EP-0128983-A1 2,3-Dihalo-2,3-(di-substituted)propanoate antimicrobial compounds MERCK & CO. INC. (US) 1984-12-27 EP disclosed
US-4397851-A TREATMENT OF WATER USED IN PAPERMAKING MERCK & CO., INC. (US) 1983-08-09 US disclosed