SCHEMBL83018

SCHEMBL83018

CCC(Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HKDC1 Q2TB90 1/20 0.45
TAAR1 Q96RJ0 4/20 0.43
MIF P14174 1/20 0.42
HTR2A P28223 3/20 0.41
TRPA1 O75762 2/20 0.41
HRH1 P35367 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AOC3 Q16853 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30034760 1.00 LMNA (0.52) LMNAHKDC1TAAR1MIFHTR2A
Hydrochloric Acid SCHEMBL28970405 0.97 LMNA (0.50) LMNAHKDC1TAAR1MIFHTR2A
SCHEMBL5006192 0.97 LMNA (0.50) LMNAHKDC1TAAR1MIFHTR2A
SCHEMBL9506161 0.87 CYP3A4 (0.48) LMNAHKDC1TAAR1MIFHTR2A
SCHEMBL21596249 0.86 CHRNB2 (0.47) LMNA
SCHEMBL11451576 0.82 HKDC1 (0.39) LMNAHKDC1TAAR1MIFTRPA1
SCHEMBL13265139 0.80 AOC3 (0.46) LMNAHKDC1TAAR1HTR2ATRPA1
SCHEMBL687847 0.80 AOC3 (0.46) LMNAHKDC1TAAR1HTR2ATRPA1
SCHEMBL15486388 0.80 LMNA (0.43) LMNAHKDC1TAAR1MIFHTR2A
SCHEMBL27400 0.79 LMNA (0.52) LMNAHKDC1TAAR1MIFHTR2A

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 1018 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580249-A 5-Hydroxyfurocoumarin compound, preparation method and application thereof in preparing antiallergic medicine 西安交通大学 2024-09-03 CN claimed
CN-109233172-B Organic delustering agent and preparation method thereof 广州安腾达化工科技有限公司 2020-11-24 CN claimed
CN-106928222-B A kind of preparation method of 3- alkyl Indoli zine derivatives 淮阴师范学院 2019-08-23 CN claimed
CN-110003047-A A kind of acetone cyanohydrin reacts the method for preparing nitrile with alkyl halide 哈尔滨理工大学 2019-07-12 CN claimed
CN-109232601-A With active native Radix Glycyrrhizae A derivative of anti-cervical cancer and its preparation method and application 广西中医药大学 2019-01-18 CN claimed
CN-109233172-A Organic delustering agent and preparation method thereof 广州安腾达化工科技有限公司 2019-01-18 CN claimed
CN-106632422-B The chlorination copper complex and its synthetic method of 1- (2- pyridines) -9- (3- phenyl propyls)-B-carboline and application 广西师范大学 2018-08-10 CN claimed
CN-104529942-B A kind of synthetic method of Vanoxerine 天津孚音生物科技发展有限公司 2018-05-15 CN claimed
CN-106928222-A A kind of preparation method of 3 alkyl Indoli zine derivatives 淮阴师范学院 2017-07-07 CN claimed
CN-105461569-B A kind of alverine citrate novel crystal forms and preparation method thereof 南京海融医药科技股份有限公司 2017-06-06 CN claimed
WO-2000075142-A2 DNA METHYLTRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2000-12-14 WO claimed
EP-0848693-A4 ISOMERIZATION OF BISPHENOLS DOW CHEMICAL CO (US) 1999-03-17 EP claimed
CN-1200105-A Isomerization of bisphenols DOW CHEMICAL CO (US) 1998-11-25 CN claimed
EP-0848693-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1998-06-24 EP claimed
WO-1997008122-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
EP-0572521-A1 NEW AND IMPROVED SOLVENT-FREE SYNTHESIS OF ETHEREALLY SUBSTITUTED BLOCKED MONOSACCHARIDES AND THE SELECTIVE HYDROLYSIS THEREOF. GREENWICH PHARMA (US) 1993-12-08 EP claimed
WO-1992014745-A1 NEW AND IMPROVED SOLVENT-FREE SYNTHESIS OF ETHEREALLY SUBSTITUTED BLOCKED MONOSACCHARIDES AND THE SELECTIVE HYDROLYSIS THEREOF GREENWICH PHARMACEUTICALS INCORPORATED (US) 1992-09-03 WO claimed
EP-0499904-A1 Solvent-free synthesis of ethereally substituted blocked monosaccharides and the selective hydrolysis thereof GREENWICH PHARMACEUTICALS INCORPORATED (US) 1992-08-26 EP claimed
US-4319061-A CHEMICAL INTERMEDIATES FOR SURFACTANTS EXXON RESEARCH AND ENGINEERING CO. (US) 1982-03-09 US claimed