SCHEMBL3757554

SCHEMBL3757554

COc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
GAA P10253 2/20 0.58
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 3/20 0.50
HSP90AA1 P07900 3/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
CCR6 P51684 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSP90AB1 P08238 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
PGK1 P00558 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
Chloroneb SCHEMBL22739 0.94 GAA (0.64) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL16609990 0.91 GAA (0.68) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL7897846 0.90 MAPK1 (0.57) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL30487990 0.88 GAA (0.65) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL27952777 0.88 GAA (0.65) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL5572861 0.88 GAA (0.50) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL9732658 0.85 MAPK1 (0.57) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL10356771 0.83 GAA (0.54) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL92052 0.81 GAA (0.52) NPC1GAATAAR1ALDH1A1HSP90AA1
SCHEMBL1755249 0.81 NPC1 (0.58) NPC1GAATAAR1ALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024219304-A1 SOIL CONTAMINATION EVALUATION METHOD 清水建設株式会社 2024-10-24 WO claimed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US claimed
US-4346244-A Preparation of chloroalkoxybenzenes RHONE-POULENC INDUSTRIES (FR) 1982-08-24 US claimed
US-4306098-A Novel manufacture of 2,4,5-trichlorophenol IVON WATKINS-DOW LIMITED (NZ) 1981-12-15 US claimed
US-4020061-A 3-Oxomethyl-2-(1-nitro-2-oxoethylidene)-tetrahydro-2H-1,3-thiazines SHELL OIL COMPANY (US) 1977-04-26 US claimed
US-4008249-A HERBICIDE, PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DT) 1977-02-15 US claimed
WO-2024219304-A1 SOIL CONTAMINATION EVALUATION METHOD 清水建設株式会社 2024-10-24 WO disclosed
US-11359089-B2 Method for preparing Y-branched hydrophilic polymer carboxylic acid derivative JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2022-06-14 US disclosed
EP-3604388-B1 METHOD FOR PREPARING Y-BRANCHED HYDROPHILIC POLYMER CARBOXYLIC ACID DERIVATIVE JENKEM TECH CO LTD BEIJING (CN) 2021-04-28 EP disclosed
EP-3604388-A1 METHOD FOR PREPARING Y-BRANCHED HYDROPHILIC POLYMER CARBOXYLIC ACID DERIVATIVE Jenkem Technology Co., Ltd. (Beijing) (CN) 2020-02-05 EP disclosed
EP-3092243-B1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2019-06-19 EP disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-4346244-A Preparation of chloroalkoxybenzenes RHONE-POULENC INDUSTRIES (FR) 1982-08-24 US disclosed
US-4306098-A Novel manufacture of 2,4,5-trichlorophenol IVON WATKINS-DOW LIMITED (NZ) 1981-12-15 US disclosed
US-4185106-A Pyridones as antidandruff agents HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed
US-4087450-A FUNGICIDES, ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1978-05-02 US disclosed
US-4026917-A Method of removing polynuclear aromatic compounds by adsorption with coconut charcoal THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE INTERIOR (US) 1977-05-31 US disclosed
US-4020061-A 3-Oxomethyl-2-(1-nitro-2-oxoethylidene)-tetrahydro-2H-1,3-thiazines SHELL OIL COMPANY (US) 1977-04-26 US disclosed
US-4008249-A HERBICIDE, PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DT) 1977-02-15 US disclosed