SCHEMBL29028872

SCHEMBL29028872

CC(C)(C)CC(C)(C)OC(=O)NC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL552810 0.81 TSHR (0.33) MEN1GAAKMT2A
SCHEMBL27364953 0.77 POLB (0.32) POLBGAA
SCHEMBL18680190 0.77 POLB (0.32) POLB
SCHEMBL15580914 0.77 CA1 (0.32)
SCHEMBL24990879 0.75 POLB (0.42) POLBMEN1KMT2A
SCHEMBL22651651 0.75 EPHX1 (0.36) POLBMEN1GAAKMT2A
Water SCHEMBL28429694 0.75 POLB (0.31) POLBGAA
SCHEMBL723639 0.75 MEN1 (0.42) MEN1GAAKMT2A
SCHEMBL20691444 0.73 CA1 (0.41)
Chloromethane SCHEMBL28895816 0.73 MEN1 (0.41) MEN1GAAKMT2A

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-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed