SCHEMBL3989449

SCHEMBL3989449

CCCC(=O)Oc1ccc2ccc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
KDM4E B2RXH2 7/20 0.67
GLA P06280 5/20 0.67
GAA P10253 5/20 0.67
ALDH1A1 P00352 5/20 0.67
CA12 O43570 9/20 0.67
CA9 Q16790 9/20 0.67
POLB P06746 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
HPGD P15428 3/20 0.65
MAPT P10636 2/20 0.65
HIF1A Q16665 1/20 0.65
CA1 P00915 6/20 0.61
CA6 P23280 4/20 0.61
CA7 P43166 4/20 0.61
CA14 Q9ULX7 4/20 0.61
CA5B Q9Y2D0 3/20 0.61
CA4 P22748 3/20 0.61
CA5A P35218 3/20 0.61
CA2 P00918 2/20 0.61

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
SCHEMBL3469861 0.92 CA12 (0.66) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL21043916 0.91 CA12 (0.64) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL4293165 0.89 CA12 (0.63) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL19831442 0.89 CA12 (0.63) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL1095981 0.89 CA12 (0.63) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL4769998 0.88 CA12 (0.70) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL25543534 0.87 CA12 (0.69) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL3470456 0.86 KDM4E (0.56) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL15630442 0.86 KDM4E (0.62) KMT2AKDM4EGLAGAAALDH1A1
SCHEMBL27265014 0.86 KDM4E (0.62) KMT2AKDM4EGLAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107727628-A A kind of fluorescence detection method of lipase alcoholysis vigor 浙江工业大学 2018-02-23 CN claimed
WO-2009067031-A1 METHOD FOR DETECTION AND/OR ASSAY OF LOVASTATIN ESTERASE WITH USE OF FLUOROGENIC/CHROMOGENIC REAGENT, LOVASTATIN ESTERASE ISOLATED AND/OR PURIFIED BY THIS METHOD, ASSEMBLY FOR DETECTION AND/OR ASSAY AND USE OF FLUOROGENIC/CHROMOGENIC REAGENT FOR DETECTION AND/OR ASSAY OF LOVASTATIN ESTERASE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2009-05-28 WO claimed
WO-2009067031-A1 METHOD FOR DETECTION AND/OR ASSAY OF LOVASTATIN ESTERASE WITH USE OF FLUOROGENIC/CHROMOGENIC REAGENT, LOVASTATIN ESTERASE ISOLATED AND/OR PURIFIED BY THIS METHOD, ASSEMBLY FOR DETECTION AND/OR ASSAY AND USE OF FLUOROGENIC/CHROMOGENIC REAGENT FOR DETECTION AND/OR ASSAY OF LOVASTATIN ESTERASE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2009-05-28 WO disclosed
WO-1998046770-A9 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS 1999-03-18 WO disclosed