SCHEMBL2470752

SCHEMBL2470752

CC(=O)CC(O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
KISS1R Q969F8 3/20 0.41
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
CA2 P00918 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
PSMB5 P28074 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32

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
SCHEMBL20530439 1.00 ALDH1A1 (0.57) ALDH1A1TDP1KISS1RPTGESALOX5
SCHEMBL11352833 0.88 ALDH1A1 (0.50) ALDH1A1TDP1KISS1RPTGESALOX5
SCHEMBL7567721 0.84 ALDH1A1 (0.50) ALDH1A1TDP1KISS1RSLC22A6
SCHEMBL3512468 0.84 ALDH1A1 (0.50) ALDH1A1TDP1KISS1RSLC22A6
SCHEMBL14430862 0.84 ALDH1A1 (0.50) ALDH1A1TDP1KISS1RSLC22A6
SCHEMBL17066345 0.84 ALDH1A1 (0.50) ALDH1A1TDP1KISS1RSLC22A6
SCHEMBL10661813 0.82 ALDH1A1 (0.48) ALDH1A1TDP1KISS1RSLC22A6
SCHEMBL12722984 0.81 ALDH1A1 (0.48) ALDH1A1TDP1KISS1RPTGESALOX5
SCHEMBL9566376 0.81 ALDH1A1 (0.42) ALDH1A1TDP1KISS1RPTGESALOX5
SCHEMBL14503023 0.80 ALDH1A1 (0.46) ALDH1A1TDP1KISS1RSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765853-B1 PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE KURARAY CO (JP) 1999-07-07 EP claimed
US-5840992-A Process for producing 6-methylheptan-2-one KURARAY CO., LTD. (JP) 1998-11-24 US claimed
EP-0765853-A1 PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE KURARAY CO., LTD. (JP) 1997-04-02 EP claimed
EP-0390912-A1 IMPROVEMENTS IN AND RELATING TO FIBROUS ACTIVATED CARBONS WOODVILLE POLYMER ENGINEERING LIMITED (GB) 1990-10-10 EP claimed
JP-8333295-A None JP disclosed
JP-54148712-A None JP disclosed
US-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
CN-110945122-A Fructose-6-phosphate aldolase variants for aldol condensation carbon linking 西班牙高等科研理事会 2020-03-31 CN disclosed
EP-3610011-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-02-19 EP disclosed
WO-2018189026-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2018-10-18 WO disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed
CN-105399613-A Preparation method of perfume 6-methyl-3-heptene-2-one SHANDONG NHU PHARMACEUTICAL CO LTD 2016-03-16 CN disclosed
US-5840992-A Process for producing 6-methylheptan-2-one KURARAY CO., LTD. (JP) 1998-11-24 US disclosed
EP-0816321-A1 Process for producing 6-methyl-3-hepten-2-one and 6-methyl-2-heptanone analogues, and process for producing phyton or isophytol KURARAY CO., LTD. (JP) 1998-01-07 EP disclosed
EP-0765853-A4 PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE KURARAY CO (JP) 1997-08-27 EP disclosed
EP-0765853-A1 PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE KURARAY CO., LTD. (JP) 1997-04-02 EP disclosed
EP-0765853-A1 PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE KURARAY CO., LTD. (JP) 1997-04-02 EP disclosed
JP-H08333295-A PRODUCTION OF 6-METHYLHEPTAN-2-ONE KURARAY CO LTD 1996-12-17 JP disclosed
WO-1996031454-A1 PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE KURARAY CO., LTD. (JP) 1996-10-10 WO disclosed
JP-S54148712-A PREPARATION OF ISOBUTYLACETONYLCARBINOL AND ISOAMYLIDENEACETONE KURARAY CO LTD 1979-11-21 JP disclosed