SCHEMBL24528879

SCHEMBL24528879

CC(C)(CN)CCC(C)(C)CC(=O)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CA2 P00918 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 1/20 0.36
CHKA P35790 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL21016157 0.83 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL12335992 0.81 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL22248571 0.79 GAA (0.41) GAACA2CA12CA1CA9
SCHEMBL1829291 0.78 CA2 (0.43) GAACA2CA12CA1CA9
SCHEMBL12583186 0.77 GAA (0.42) GAACA2CA12CA1CA9
SCHEMBL12308783 0.77 GAA (0.38) GAACA2CA12CA1CA9
SCHEMBL3318512 0.76 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL27512239 0.75 GAA (0.41) GAACA2CA12CA1CA9
Hydrochloric Acid SCHEMBL29165308 0.75 HPGD (0.42) GAACA2CA12CA1CA9
SCHEMBL701798 0.74 GAA (0.40) GAACA2CA12CA1CA9

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
WO-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed