SCHEMBL24712356

SCHEMBL24712356

C#CCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCC#C)(COCCC(=O)NCCOCCOCCOCCOCC#C)NC(=O)CCOCCOCCOCCOCCN

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
CA14 Q9ULX7 4/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL24297230 0.90 CA2 (0.36) CA12CA1CA2CA4CA9
SCHEMBL16329730 0.89 TSHR (0.42) TSHRCA12CA1CA2CA4
SCHEMBL18239106 0.89 TSHR (0.35) TSHR
SCHEMBL23789772 0.89 TSHR (0.40) TSHRCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL20896821 0.87 TSHR (0.39) TSHRCA12CA1CA2CA4
SCHEMBL16329264 0.85 CA2 (0.34) CA12CA1CA2CA4CA9
SCHEMBL25764285 0.84 L3MBTL1 (0.36) TSHRL3MBTL1
SCHEMBL16329536 0.84 TSHR (0.38) TSHRCA12CA1CA2CA4
SCHEMBL22515414 0.84 TSHR (0.38) TSHRCA12CA1CA2CA4
SCHEMBL16329255 0.84 TSHR (0.38) TSHRCA12CA1CA2CA4

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-2022258794-A2 A CONJUGATE ULTIMOVACS AB (SE) 2022-12-15 WO disclosed