SCHEMBL7533050

SCHEMBL7533050

CCC(=O)C(C(=O)O)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ZDHHC7 Q9NXF8 1/20 0.34
KMT2A Q03164 2/20 0.33
FFAR3 O14843 1/20 0.33
MME P08473 2/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TGFBR1 P36897 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 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
SCHEMBL2202426 0.88 SMN1; SMN2 (0.40) CA1CA2SMN1; SMN2ZDHHC7KMT2A
SCHEMBL8750495 0.88 SMN1; SMN2 (0.40) CA1CA2SMN1; SMN2ZDHHC7KMT2A
SCHEMBL8228608 0.82 SOAT1 (0.42) KMT2AFFAR3MGAMGAASI
SCHEMBL10485422 0.82 CA1 (0.36) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL4934185 0.80 FFAR3 (0.44) CA2FFAR3CHRM1AKR1A1CHRM3
SCHEMBL26657860 0.78 CA1 (0.34) CA1CA2SMN1; SMN2ZDHHC7KMT2A
Hydrochloric Acid SCHEMBL11145353 0.78 SMN1; SMN2 (0.43) CA1CA2SMN1; SMN2KMT2AMME
SCHEMBL1930965 0.73 TDP1 (0.38) FFAR3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2912889 0.73 SMN1; SMN2 (0.40) CA1CA2SMN1; SMN2KMT2AMME
SCHEMBL114574 0.71 SMN1; SMN2 (0.41) CA1CA2SMN1; SMN2ZDHHC7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925549-A Method for purifying 1,3-dimethyl acetone dicarboxylate 浦拉司科技(上海)有限责任公司 2023-04-07 CN claimed
CN-115925549-A Method for purifying 1,3-dimethyl acetone dicarboxylate 浦拉司科技(上海)有限责任公司 2023-04-07 CN disclosed
CN-115925549-A Method for purifying 1,3-dimethyl acetone dicarboxylate 浦拉司科技(上海)有限责任公司 2023-04-07 CN disclosed
CN-115925549-A Method for purifying 1,3-dimethyl acetone dicarboxylate 浦拉司科技(上海)有限责任公司 2023-04-07 CN disclosed
CN-115073728-A Glass-like thermosetting resin and preparation method thereof 江苏富琪森新材料有限公司 2022-09-20 CN disclosed
CN-111187153-B Preparation method of 1, 3-cyclohexanedione 山东亘元生物科技有限公司 2022-09-13 CN disclosed
CN-111187153-A Preparation method of 1, 3-cyclohexanedione 文登市兴文新材料有限公司 2020-05-22 CN disclosed
EP-1190102-A1 LEATHER TANNING Rhodia Consumer Specialties Limited (GB) 2002-03-27 EP disclosed
WO-2000073513-A1 LEATHER TANNING RHODIA CONSUMER SPECIALTIES LIMITED (GB) 2000-12-07 WO disclosed