SCHEMBL27679696

SCHEMBL27679696

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GABRR1 P24046 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
FOLH1 Q04609 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
HDAC2 Q92769 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL9792226 0.86
SCHEMBL2088746 0.84
SCHEMBL15580365 0.84
SCHEMBL27488651 0.80 SLC22A6 (0.40) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL4746046 0.80 CACNA2D1 (0.47) SLC22A6TDP1SMN1; SMN2ALDH1A1CACNB3
SCHEMBL16135518 0.80 CACNA2D1 (0.47) SLC22A6TDP1SMN1; SMN2ALDH1A1CACNB3
SCHEMBL16295980 0.80 SLC22A6 (0.35) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL3332157 0.80 TSHR (0.41) SLC22A6TDP1SMN1; SMN2TSHRFOLH1
SCHEMBL4746043 0.80 CACNA2D1 (0.47) SLC22A6TDP1SMN1; SMN2ALDH1A1CACNB3
SCHEMBL7531470 0.78 CACNA2D1 (0.36) SLC22A6TDP1SMN1; SMN2ALDH1A1MAPT

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-112795711-B Polyfunctional group high-absorption chrome tanning auxiliary agent and preparation method and application thereof 南京工业大学 2022-06-17 CN claimed
CN-112795711-A Polyfunctional group high-absorption chrome tanning auxiliary agent and preparation method and application thereof 南京工业大学 2021-05-14 CN claimed
CN-118222769-A Multi-carboxylic acid group high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-21 CN disclosed
CN-118186152-A Multifunctional high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-14 CN disclosed
CN-105980386-A Pyrazolo compounds and uses thereof 基因泰克公司 2016-09-28 CN disclosed
CN-105934674-A Biomarkers for risk assessment and therapy monitoring in heart failure patients guided by natriuretic peptides 豪夫迈·罗氏有限公司 2016-09-07 CN disclosed
CN-103415515-B Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORP. (US) 2015-08-26 CN disclosed
CN-103415515-A Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORP 2013-11-27 CN disclosed
CN-101696208-B Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF antagonists TAISHO PHARMACEUTICAL CO LTD 2013-09-25 CN disclosed
CN-102633716-A Bicyclic inhibitors of mek and methods of use thereof ARRAY BIOPHARMA INC 2012-08-15 CN disclosed
CN-1972940-B Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF receptor antagonists TAISHO PHARMACEUTICAL CO LTD 2011-08-10 CN disclosed
CN-101696208-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as crf antagonists TAISHO PHARMACEUTICAL CO LTD 2010-04-21 CN disclosed
CN-1972940-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF receptor antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2007-05-30 CN disclosed