SCHEMBL28867353

SCHEMBL28867353

CC(C)CCOC(=O)C1CC=CCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
POLB P06746 3/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CYP19A1 P11511 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL28553104 1.00 PPARG (0.47) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5523538 0.89 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5524561 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5515437 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5518938 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5519794 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5524523 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5513689 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5519154 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA
SCHEMBL5518900 0.88 POLB (0.38) PPARGPOLBMAPK1SMN1; SMN2GAA

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-112661883-B Solid catalyst component for preparing polyolefin, catalyst system and application thereof 中国石油化工股份有限公司 2022-10-21 CN claimed