SCHEMBL4101059

SCHEMBL4101059

CCN(CC)CC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
MAPT P10636 4/20 0.79
KDM4E B2RXH2 3/20 0.79
AGTR1 P30556 1/20 0.79
NPSR1 Q6W5P4 1/20 0.56
GSK3B P49841 2/20 0.54
PTPN1 P18031 2/20 0.54
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CES1 P23141 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TRPA1 O75762 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 SCHEMBL9736036 0.98 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EAGTR1NPSR1
SCHEMBL7035246 0.90 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EAGTR1NPSR1
SCHEMBL23112524 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EAGTR1NPSR1
SCHEMBL11288690 0.87 GSK3B (0.62) ALDH1A1MAPTKDM4EAGTR1GSK3B
SCHEMBL4097123 0.84 MAPT (0.59) ALDH1A1MAPTKDM4EAGTR1GSK3B
Dibenzoylmethane SCHEMBL16011488 0.83 MAPT (0.71) ALDH1A1MAPTKDM4EAGTR1NPSR1
SCHEMBL28159725 0.82 KMT2A (0.58) ALDH1A1MAPTKDM4EAGTR1GSK3B
Dibenzoylmethane SCHEMBL7184502 0.82 MAPT (0.68) ALDH1A1MAPTKDM4EAGTR1NPSR1
SCHEMBL4814475 0.82 GSK3B (0.76) ALDH1A1MAPTKDM4EAGTR1NPSR1
SCHEMBL11749642 0.81 KDM4E (0.56) ALDH1A1MAPTKDM4EAGTR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940689-B Fluorescent probe for detecting mitochondrial temperature and preparation and application thereof 浙江工业大学 2024-06-11 CN claimed
CN-117624249-A Red light-emitting iridium complex viscosity probe, preparation method and application thereof 安徽工业大学 2024-03-01 CN claimed
WO-2023192528-A1 EXTRUDED BALLAST PROTECTION FOR WATERPROOFING GCP APPLIED TECHNOLOGIES INC. (US) 2023-10-05 WO claimed
CN-114890915-B Mitochondrial targeting fluorescent probe for detecting temperature and preparation method and application thereof 浙江工业大学 2023-06-23 CN claimed
CN-114874111-B Near infrared fluorescent probe for detecting temperature and preparation method and application thereof 浙江工业大学 2023-06-23 CN claimed
CN-107602600-B Amino-substituted aza-BODIPY near-infrared pH fluorescent probe and preparation method and application thereof 平顶山学院 2020-05-05 CN claimed
US-4048034-A Photopolymerization using an alpha-aminoacetophenone UOP INC. (US) 1977-09-13 US claimed
CN-114466752-B Tire with a tire body 住友橡胶工业株式会社 2024-07-05 CN disclosed
EP-4382315-A1 PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2024-06-12 EP disclosed
EP-4049855-B1 TIRE SUMITOMO RUBBER IND (JP) 2024-05-29 EP disclosed
US-20240123765-A1 TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2024-04-18 US disclosed
CN-111944208-B Rubber composition for tread and tire 住友橡胶工业株式会社 2024-04-16 CN disclosed
CN-117858809-A Pneumatic tire 住友橡胶工业株式会社 2024-04-09 CN disclosed
US-5530038-A CONTAINING UNSATURATED MONOMER WITH ACIDIC GROUP, UNSATURATED MONOMER WITH HYDROXYL GROUP, POLYMERIZATION INITIATOR, AMINE COMPOUND, ZIRCONIUM OXIDE AND ORGANIC COMPOSITE FILLERS SUN MEDICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0684034-A1 Primer solution composition for dental bonding SUN MEDICAL CO., LTD. (JP) 1995-11-29 EP disclosed
EP-0251164-B1 NEW CHIRAL PHOSPHINOPYRROLIDINE COMPOUNDS AND THEIR USE FOR ASYMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS Achiwa, Kazuo (JP) 1992-12-16 EP disclosed
US-4879389-A HYDROGENATION CATALYSTS ACHIWA KAZUO (JP) 1989-11-07 US disclosed
EP-0251164-A2 New chiral phosphinopyrrolidine compounds and their use for asymetric synthesis of optically active compounds Achiwa, Kazuo (JP) 1988-01-07 EP disclosed
EP-0250193-A2 Photoreactive lenses GEC-MARCONI LIMITED (GB) 1987-12-23 EP disclosed
US-4048034-A Photopolymerization using an alpha-aminoacetophenone UOP INC. (US) 1977-09-13 US disclosed