SCHEMBL78652

SCHEMBL78652

O=C(O)Cc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
EGFR P00533 4/20 0.55
ERBB2 P04626 4/20 0.55
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PPARD Q03181 1/20 0.49
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
NR3C2 P08235 1/20 0.49
AR P10275 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RGS12 O14924 1/20 0.48

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 SCHEMBL1374336 0.98 AKR1B1 (0.56) AKR1B1EGFRERBB2FFAR1FFAR4
Methane SCHEMBL10697726 0.98 AKR1B1 (0.56) AKR1B1EGFRERBB2FFAR1FFAR4
SCHEMBL7413003 0.87 SLC7A5 (0.54) EGFRERBB2FFAR1FFAR4HCAR2
SCHEMBL1448505 0.85 EGFR (0.53) EGFRERBB2HCAR2TAAR1
SCHEMBL70565 0.84 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19KDM4ERGS12
SCHEMBL6669579 0.84 EGFR (0.53) EGFRERBB2FFAR1FFAR4HCAR2
SCHEMBL1357383 0.83 EGFR (0.51) EGFRERBB2HCAR2TAAR1MAPT
SCHEMBL7821970 0.83 FFAR1 (0.48) AKR1B1EGFRERBB2FFAR1FFAR4
Hydrochloric Acid SCHEMBL8922940 0.82 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19KDM4ERGS12
SCHEMBL2578166 0.82 MAPK8 (0.52) EGFRERBB2TAAR1

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 2085 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-115141197-B 3-aromatic heterocycle substituted phenyl derivative and preparation method and application thereof 安徽医科大学 2024-03-26 CN claimed
CN-107417509-B Preparation method of phenylacetic acid compound 上海康鹏科技股份有限公司 2020-08-25 CN claimed
CN-111153866-A Parecoxib sodium disubstituted impurity and preparation method and application thereof 上海臣邦医药科技股份有限公司 2020-05-15 CN claimed
CN-111153865-A Parecoxib sodium substituted impurity and preparation method thereof 上海臣邦医药科技股份有限公司 2020-05-15 CN claimed
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN claimed
EP-2137139-B1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM (FR) 2014-09-10 EP claimed
US-8637574-B2 Salts of 3-pentylphenylacetic acid and pharmaceutical uses thereof PROMETIC BIOSCIENCES, INC. (CA) 2014-01-28 US claimed
EP-2427417-B1 SALTS OF 3-PENTYLPHENYLACETIC ACID AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC (CA) 2013-10-09 EP claimed
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-1124417-A2 COMPOSITIONS COMPRISING PLANT CELL GROWTH REGULATING COMPOUNDS AND METHODS OF USE THEREOF INVITROGEN CORPORATION (US) 2001-08-22 EP claimed
WO-2000024249-A2 COMPOSITIONS COMPRISING PLANT CELL GROWTH REGULATING COMPOUNDS AND METHODS OF USE THEREOF INVITROGEN CORPORATION (US) 2000-05-04 WO claimed