SCHEMBL7530583

SCHEMBL7530583

COC(=O)C(Br)C(Br)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.43
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL487424 0.85 KMT2A (0.63) KMT2ACES2CES1MEN1PTGS1
SCHEMBL18165406 0.85 KMT2A (0.63) KMT2ACES2CES1MEN1PTGS1
SCHEMBL5860188 0.85 KMT2A (0.58) KMT2ACES2CES1MEN1PTGS1
SCHEMBL13168073 0.85 KMT2A (0.58) KMT2ACES2CES1MEN1PTGS1
SCHEMBL4637554 0.85 KMT2A (0.58) KMT2ACES2CES1MEN1PTGS1
SCHEMBL31198064 0.83 KMT2A (0.52) KMT2ACES2CES1MEN1PTGS1
SCHEMBL6579990 0.83 MMP8 (0.53) KMT2AMEN1NPC1TSHRSLC6A3
SCHEMBL28175028 0.83 KMT2A (0.61) KMT2ACES2CES1MEN1PTGS1
SCHEMBL68152 0.82 KMT2A (0.64) KMT2ACES2CES1MEN1PTGS1
SCHEMBL319987 0.82 KMT2A (0.64) KMT2ACES2CES1MEN1PTGS1

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 18 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
US-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US 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
CN-110862292-B Preparation method of 1-aryl-1, 2-dibromoethane 中国科学院兰州化学物理研究所 2021-04-06 CN disclosed
CN-110862292-A Preparation method of 1-aryl-1, 2-dibromoethane 中国科学院兰州化学物理研究所 2020-03-06 CN disclosed
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO disclosed
EP-0671392-B1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0682024-B1 Cyclohexane derivatives, processes for their preparation and their use as glucose-6-phosphatase inhibitors HOECHST AG (DE) 1999-12-08 EP disclosed
US-5767141-A Substituted propane derivatives, a process for their preparation and the use of the compounds for treating diseases HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5739147-A Cyclohexane derivatives, process for their preparation, and the use of the compounds for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0587088-B1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AG (DE) 1996-05-08 EP disclosed
EP-0682024-A1 Cyclohexane derivatives, processes for their preparation and their use as glucose-6-phosphatase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 EP disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 EP disclosed
US-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US disclosed
US-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US disclosed