SCHEMBL7163554

SCHEMBL7163554

CCCCCCCCCCCCCCCC1CC(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
PPARG P37231 2/20 0.57
ALDH1A1 P00352 1/20 0.56
EPHX1 P07099 1/20 0.52
SIRT2 Q8IXJ6 6/20 0.51
GRM2 Q14416 6/20 0.47

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
SCHEMBL6116259 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL15656881 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL7024404 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL8176788 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL7028759 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL8350663 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL11510187 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL20625376 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL20803560 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2
SCHEMBL15658385 1.00 CYP1A2 (0.67) CYP1A2PPARGALDH1A1EPHX1SIRT2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480498-B Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2022-11-29 CN claimed
CN-113480498-A Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2021-10-08 CN claimed
CN-113480498-B Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2022-11-29 CN disclosed
CN-113480498-B Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2022-11-29 CN disclosed
CN-113480498-B Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2022-11-29 CN disclosed
CN-110769800-B Cosmetic composition containing fullerene 维生素C60生化学研究公司 2022-06-28 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-110249010-B Solvent-based ink composition 精工爱普生株式会社 2022-05-06 CN disclosed
CN-113480498-A Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2021-10-08 CN disclosed
CN-113480498-A Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2021-10-08 CN disclosed
CN-113480498-A Biomass-based gamma-octadecanolide synthesis method 安徽华业香料股份有限公司 2021-10-08 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
US-6545112-B2 Pretreating beta-butyrolactone to remove acid and water and homo- or copolymerizing using a tin compound as polymerization catalyst to a high-molecular-weight biodegradable polylactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-04-08 US disclosed
US-20020052458-A1 PROCESS FOR PRODUCING B-BUTYROLACTONE HOMOPOLYMER OR COPOLYMER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-02 US disclosed