SCHEMBL69325

SCHEMBL69325

O=[C]c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CYP2A6 P11509 6/20 0.42
CYP1A2 P05177 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GSTP1 P09211 1/20 0.41
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1921032 0.93 ALDH1A1 (0.44) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL4022260 0.89 ASIC3 (0.33) CYP2A6CYP1A2CA1CA2CYP1A1
SCHEMBL5182331 0.87 CYP1A2 (0.35) CYP2A6CYP1A2CA1CA2CYP1A1
SCHEMBL1920437 0.82 CYP1A2 (0.61) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL1920223 0.79 ALDH1A1 (0.56) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL5984641 0.79 CYP2A6 (0.46) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL5573799 0.79 ASIC3 (0.53) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL2345972 0.76 CYP1A2 (0.50) CES2CES1CYP2A6CYP1A2ALDH1A1
SCHEMBL2347410 0.76 CYP2A6 (0.50) CYP2A6LMNAMAPT
SCHEMBL2346917 0.76 ALDH1A1 (0.50) CA2ALDH1A1CYP3A4HSD17B10TDP1

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 8896 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485268-B Synthesis of vinyl protected alcohol intermediates 安进公司 2024-06-18 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-115734975-B Process for producing cyclic olefin copolymer, and catalyst composition for copolymerization of norbornene monomer and ethylene 宝理塑料株式会社 2024-02-27 CN claimed
US-11795256-B2 Production method for cyclic olefin copolymer and catalyst composition for copolymerization of norbornene monomer and ethylene POLYPLASTICS CO., LTD. (JP) 2023-10-24 US claimed
US-20230192930-A1 PRODUCTION METHOD FOR CYCLIC OLEFIN COPOLYMER AND CATALYST COMPOSITION FOR COPOLYMERIZATION OF NORBORNENE MONOMER AND ETHYLENE POLYPLASTICS CO., LTD. (JP) 2023-06-22 US claimed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US claimed
CN-116239647-A Benzimidazole alkyl bromide-timosaponin derivative and preparation method and application thereof 云南大学 2023-06-09 CN claimed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US claimed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US claimed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP claimed
EP-0124296-A1 Thermographic system using naphthoylated leuco phenazine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-11-07 EP claimed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US claimed
EP-0036426-A4 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1983-03-29 EP claimed
EP-0036426-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1981-09-30 EP claimed
US-4285947-A DIURETICS, HYPOTENSIVES INTERX RESEARCH CORPORATION (US) 1981-08-25 US claimed
US-4275219-A Novel process and intermediates useful in the preparation of sympathomimetic amines INTERX RESEARCH CORPORATION (US) 1981-06-23 US claimed
WO-1981000849-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES INTERX RESEARCH CORP (US) 1981-04-02 WO claimed
US-4214076-A 2'-N-Substituted fortimicin B and derivatives ABBOTT LABORATORIES (US) 1980-07-22 US claimed