SCHEMBL28634576

SCHEMBL28634576

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SLC1A1 P43005 1/20 0.42
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 3/20 0.34
LMNA P02545 2/20 0.34
CA14 Q9ULX7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MME P08473 1/20 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

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
SCHEMBL8686256 0.86 TSHR (0.55) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL25224860 0.80 TSHR (0.40) TSHRSLC1A1KMT2AMEN1CA1
SCHEMBL3239453 0.80 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL4733948 0.77 TSHR (0.44) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL22310262 0.76 TSHR (0.43) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL11592937 0.74 TSHR (0.58) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL23295969 0.73 L3MBTL1 (0.50) SLC1A1KMT2AKDM4ECA1CA2
SCHEMBL2821456 0.73 FOLH1 (0.50) TSHRSLC1A1KDM4ECA1CA2
SCHEMBL16388417 0.73 TSHR (0.55) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL1406231 0.73 TSHR (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412260-B Ketohexokinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2022-08-02 CN disclosed
CN-113999212-A Salts, crystalline forms and uses of ketohexokinase inhibitors 山东轩竹医药科技有限公司 2022-02-01 CN disclosed
CN-113412260-A Ketohexokinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2021-09-17 CN disclosed