SCHEMBL277116

SCHEMBL277116

O=C1C=C(C2=CCCCCC2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
ELANE P08246 1/20 0.37
ACMSD Q8TDX5 1/20 0.34
MAPT P10636 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL11502521 0.96 TYMP (0.40) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL9278169 0.86 TYMP (0.42) TYMPALDH1A1CYP3A4ELANEACMSD
Ethylene SCHEMBL28695708 0.81 TYMP (0.38) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL18244172 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL2105114 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL11201526 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL18244171 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL21057468 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL3502363 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD
SCHEMBL3796623 0.81 TYMP (0.41) TYMPALDH1A1CYP3A4ELANEACMSD

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
EP-1097925-B1 NOVEL BENZOIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NIPPON SODA CO (JP) 2006-09-13 EP claimed
US-6756497-B1 REACTING SUBSTITUTED BICYCLOHEPTENONE WITH ALKALI METAL ALKOXIDE OR ALKALI METAL OR ALKALINE EARTH METAL HYDROXIDE AND WATER OR METHANOL, ETHANOL, PROPANOL, ISOPROPANOL, BUTANOL OR TERT-BUTANOL IN LISTED ALCOHOLS OR TETRAHYDROFURAN AS SOLVENT NIPPON SODA CO., LTD. (JP) 2004-06-29 US claimed
EP-1097925-A1 NOVEL BENZOIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NIPPON SODA CO., LTD. (JP) 2001-05-09 EP claimed
EP-0074856-A2 Resolution of racemic bicycloheptenones GLAXO GROUP LIMITED (GB) 1983-03-23 EP claimed
CN-117242065-A Indole derivatives as serotonergic agents for the treatment of diseases associated therewith 明德赛特制药公司 2023-12-15 CN disclosed
CN-115974757-A Silodosin derivatives as serotonergic hallucinogens for the treatment of CNS disorders 明德赛特制药公司 2023-04-18 CN disclosed
CN-115427395-A Silodosin derivatives as serotonergic hallucinogens for the treatment of CNS disorders 明德赛特制药公司 2022-12-02 CN disclosed
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
CN-115397810-A Silodosin derivatives as serotonergic hallucinogens for the treatment of CNS disorders 明德赛特制药公司 2022-11-25 CN disclosed
CN-115380028-A 3-pyrrolidine-indole derivatives as serotonergic hallucinogens for the treatment of CNS disorders 明德赛特制药公司 2022-11-22 CN disclosed
CN-109942595-B Oxygen-bridged bicyclo- [2.2.1] -heptene compounds containing different functional side chain structures and preparation and application thereof 武汉大学 2020-08-25 CN disclosed
CN-107257846-A With the stabilized laundry detergent composition of amphiphilic rheology modifier with amphiphilic cross-linking agents 路博润先进材料公司 2017-10-17 CN disclosed
EP-0160495-A2 Cyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1985-11-06 EP disclosed
EP-0100900-A1 Novel (3.2.0.) bicycloheptanone oxime ethers with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1984-02-22 EP disclosed
EP-0074856-A3 RESOLUTION OF RACEMIC BICYCLOHEPTENONES GLAXO GROUP LIMITED (GB) 1984-02-01 EP disclosed
EP-0074856-A3 RESOLUTION OF RACEMIC BICYCLOHEPTENONES GLAXO GROUP LIMITED (GB) 1984-02-01 EP disclosed
US-4423068-A (3.2.0) Bicycloheptanone oxime ethers with therapeutic properties SYNTEX (U.S.A.) INC. (US) 1983-12-27 US disclosed
EP-0074856-A2 Resolution of racemic bicycloheptenones GLAXO GROUP LIMITED (GB) 1983-03-23 EP disclosed
EP-0074856-A2 Resolution of racemic bicycloheptenones GLAXO GROUP LIMITED (GB) 1983-03-23 EP disclosed
EP-0074856-A2 Resolution of racemic bicycloheptenones GLAXO GROUP LIMITED (GB) 1983-03-23 EP disclosed