SCHEMBL28020724

SCHEMBL28020724

CCCCCC(=C=O)CCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
FABP4 P15090 2/20 0.64
KMT2A Q03164 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
ESR1 P03372 1/20 0.64
ALOX15 P16050 1/20 0.64
PDE4A P27815 1/20 0.64
PDE3A Q14432 1/20 0.64

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
SCHEMBL28596848 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28598663 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28261360 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28429423 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28262571 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL27802249 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28873581 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28429930 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL31249636 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28262553 0.96 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201511-B (R) -5-carbonyl decanoate (ester) reductase mutant and application thereof in preparation of (R) -gamma/delta-lactone 华东理工大学 2022-08-30 CN claimed
CN-104651425-B A kind of method of living things catalysis synthesizing optical active al lactone 苏州百福安酶技术有限公司 2018-06-08 CN claimed
CN-104651425-A Method for biological catalyzed synthesis of optically active alkyl lactone SUZHOU BAIFU AN ENZYME TECHNOLOGY CO LTD 2015-05-27 CN claimed
CN-113201511-B (R) -5-carbonyl decanoate (ester) reductase mutant and application thereof in preparation of (R) -gamma/delta-lactone 华东理工大学 2022-08-30 CN disclosed
CN-109797140-B Carbonyl reductase mutant, encoding gene, recombinant vector, expression transformant and application of carbonyl reductase mutant in preparation of (R) -alkyl lactone 苏州百福安酶技术有限公司 2022-08-23 CN disclosed
CN-113278599-A Saccharomyces cerevisiae carbonyl reductase and application thereof in preparation of optically active alkyl lactone 华东理工大学 2021-08-20 CN disclosed
CN-113201511-A (R) -5-carbonyl decanoate (ester) reductase mutant and application thereof in preparation of (R) -gamma/delta-lactone 华东理工大学 2021-08-03 CN disclosed
CN-107142251-B Serratia carbonyl reductase and application thereof in preparation of optically active alkyl lactone 苏州百福安酶技术有限公司 2020-11-24 CN disclosed
CN-109797140-A Carbonyl reduction enzyme mutant, encoding gene, recombinant vector and expression transformant and its in the application of preparation (R)-alkyl lactone 苏州百福安酶技术有限公司 2019-05-24 CN disclosed
CN-104651425-B A kind of method of living things catalysis synthesizing optical active al lactone 苏州百福安酶技术有限公司 2018-06-08 CN disclosed
CN-107142251-A Serratieae carbonyl reductase and its application in optical activity alkyl lactone is prepared 苏州百福安酶技术有限公司 2017-09-08 CN disclosed
CN-104651425-A Method for biological catalyzed synthesis of optically active alkyl lactone SUZHOU BAIFU AN ENZYME TECHNOLOGY CO LTD 2015-05-27 CN disclosed
CN-104651425-A Method for biological catalyzed synthesis of optically active alkyl lactone SUZHOU BAIFU AN ENZYME TECHNOLOGY CO LTD 2015-05-27 CN disclosed