SCHEMBL9517563

SCHEMBL9517563

CCOC(=O)C(CC(CCC(=O)OC)OC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 5/20 0.39
SLC1A1 P43005 1/20 0.38
GAA P10253 3/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAPK1 P28482 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9516151 0.88 TSHR (0.43) L3MBTL1KMT2ATSHRSLC1A1GAA
SCHEMBL11534434 0.82 L3MBTL1 (0.49) L3MBTL1KMT2APOLBTSHRSLC1A1
SCHEMBL9517514 0.78 L3MBTL1 (0.46) L3MBTL1KMT2APOLBTSHRGAA
SCHEMBL732892 0.78 TSHR (0.57) L3MBTL1KMT2ATSHRSLC1A1GAA
SCHEMBL28576166 0.77 L3MBTL1 (0.45) L3MBTL1KMT2APOLBTSHRSLC1A1
SCHEMBL28360019 0.76 TSHR (0.50) L3MBTL1KMT2ATSHRSLC1A1GAA
SCHEMBL22631505 0.75 TSHR (0.52) L3MBTL1KMT2APOLBTSHRGAA
SCHEMBL28669725 0.73 L3MBTL1 (0.47) L3MBTL1KMT2APOLBTSHRGAA
SCHEMBL5015129 0.73 L3MBTL1 (0.47) L3MBTL1KMT2APOLBTSHRSLC1A1
SCHEMBL3019317 0.73 L3MBTL1 (0.47) L3MBTL1KMT2APOLBTSHRSLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378073-B1 PROCESS FOR THE PREPARATION OF 1,3-CYCLOPENTANDIONE LONZA AG (CH) 1993-05-19 EP claimed