SCHEMBL28864580

SCHEMBL28864580

C#CC1CN(CC(=O)O)CCO1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.33
PDK1 Q15118 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL28864617 0.91 HSD17B10 (0.39) HSD17B10
SCHEMBL28864583 0.78 PLA2G10 (0.33)
SCHEMBL12331034 0.77 HSD17B10 (0.50) HSD17B10GLAPDK1KDM4EALOX15
SCHEMBL28864615 0.76 KIT (0.30)
SCHEMBL28864611 0.74 HSD17B10 (0.50) HSD17B10GLAPDK1KDM4E
SCHEMBL715037 0.74 HSD17B10 (0.50) HSD17B10GLAPDK1KDM4E
SCHEMBL28864627 0.74 HSD17B10 (0.50) HSD17B10GLAPDK1KDM4E
SCHEMBL15920658 0.74 PDK1 (0.37) PDK1
SCHEMBL28864592 0.72 HSD17B10 (0.48) HSD17B10GLAPDK1KDM4E
SCHEMBL169122 0.72 HSD17B10 (0.48) HSD17B10GLAPDK1KDM4E

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
CN-115244047-A Indazole derivative and application thereof in medicine 四川海思科制药有限公司 2022-10-25 CN disclosed