SCHEMBL27638433

SCHEMBL27638433

COC(=O)CCCCOC(=O)CCC(=O)OCCCCC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
DGKA P23743 1/20 0.54
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTR2C P28335 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
DNM1 Q05193 1/20 0.44
EPHX2 P34913 1/20 0.44
NAAA Q02083 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL26238717 0.98 TSHR (0.58) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL429505 0.95 TSHR (0.61) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL26238693 0.90 DGKA (0.71) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL26238721 0.90 DGKA (0.71) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL25953980 0.90 DGKA (0.66) TSHRDGKAHTR2CPRSS1PRSS2
SCHEMBL26832128 0.90 TSHR (0.54) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL27736720 0.90 DGKA (0.70) TSHRDGKAHTR2CPRSS1PRSS2
SCHEMBL18266869 0.90 ALDH1A1 (0.55) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL14500172 0.89 TSHR (0.56) TSHRDGKALMNAALDH1A1HTR2C
SCHEMBL714030 0.88 TSHR (0.52) TSHRDGKALMNAALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459049-A Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2017-02-22 CN disclosed
CN-101496794-B Enteric long-acting coating core and medicament dosage form and method for producing the same HUANENG PHARMACEUTICALS CO LTD 2013-12-11 CN disclosed
CN-102908331-A Duloxetine hydrochloride enteric capsules and preparation method thereof ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD 2013-02-06 CN disclosed
CN-101496794-A Enteric long-acting coated core and pharmaceutical dosage form and method for producing the same TAIWAN BIOTECHNOLOGY CO LTD (CN) 2009-08-05 CN disclosed
CN-100362997-C Enteric coated table of duloxetine, and preparation method SHANGHAI INST OF MEDICINE IND (CN) 2008-01-23 CN disclosed
CN-100362996-C Duloxetine enteric coated tiny pill capsule, and preparation method SHANGHAI INST OF MEDICINE IND (CN) 2008-01-23 CN disclosed
CN-1759830-A Enteric coated table of duloxetine, and preparation method SHANGHAI INST OF MEDICINE IND (CN) 2006-04-19 CN disclosed
CN-1759829-A Duloxetine enteric coated tiny pill capsule, and preparation method SHANGHAI INST OF MEDICINE IND (CN) 2006-04-19 CN disclosed