SCHEMBL9516151

SCHEMBL9516151

COC(=O)CCC(CC(C(=O)OC)C(=O)OC)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
SLC1A1 P43005 1/20 0.41
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 3/20 0.33
LMNA P02545 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MME P08473 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL9517563 0.88 L3MBTL1 (0.41) TSHRSLC1A1KMT2AMEN1ALDH1A1
SCHEMBL732892 0.82 TSHR (0.57) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL8686256 0.80 TSHR (0.55) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL28360019 0.76 TSHR (0.50) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL9602992 0.75 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL9602990 0.75 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL3239453 0.75 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL14066245 0.73 TSHR (0.46) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL11592937 0.72 TSHR (0.58) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL10012535 0.72 TSHR (0.50) TSHRSLC1A1KMT2AMEN1CA12

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