SCHEMBL24812432

SCHEMBL24812432

CCC#CCOCCOCCOCCOCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL24812879 0.80 SLC6A4 (0.33)
SCHEMBL12918862 0.76 CA12 (0.56) CA12CA1CA2CA9ADRB2
SCHEMBL3973874 0.76 CA12 (0.56) CA12CA1CA2CA9ADRB2
SCHEMBL25792823 0.76 CA12 (0.38) CA12CA1CA2CA9ADRB2
SCHEMBL25792841 0.76 CYP1A2 (0.32) CA2KDM4E
SCHEMBL8894552 0.74 CA12 (0.42) CA12CA1CA2CA9ADRB2
Ammonia Solution, Strong SCHEMBL17238502 0.74 CA12 (0.54) CA12CA1CA2CA9ADRB2
SCHEMBL15091 0.74 CA12 (0.52) CA12CA1CA2CA9ADRB2
SCHEMBL5440508 0.72 CA12 (0.48) CA12CA1CA2CA9ADRB2
SCHEMBL5441243 0.72 CA12 (0.48) CA12CA1CA2CA9ADRB2

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-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed