SCHEMBL28545228

SCHEMBL28545228

CCCC(C)(C)C(C)(C)OC(=O)OO

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL21433590 0.78 LMNA (0.36) LMNAHSD17B10ALDH1A1GAA
SCHEMBL29263278 0.75 LMNA (0.38) LMNAHSD17B10ALDH1A1GAA
SCHEMBL10528878 0.75 LMNA (0.31) LMNAHSD17B10
SCHEMBL453141 0.72
SCHEMBL18469709 0.72 TSHR (0.41) LMNAHSD17B10ALDH1A1
SCHEMBL8761300 0.71 CA1 (0.34) LMNAHSD17B10ALDH1A1GAA
SCHEMBL4394522 0.70 ELANE (0.37) LMNAHSD17B10ALDH1A1
SCHEMBL5136986 0.69 TSHR (0.38) ALDH1A1GAA
SCHEMBL3343125 0.67 MEN1 (0.33)
SCHEMBL251106 0.66

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-112334537-A Propylene polymer composition 住友化学株式会社 2021-02-05 CN disclosed