SCHEMBL29957155

SCHEMBL29957155

O=C(O)C[C@@H]1COCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGB2 P05107 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGAL P20701 1/20 0.39
ARG1 P05089 2/20 0.37
SLC6A12 P48065 6/20 0.36
SLC6A11 P48066 6/20 0.36
SLC6A13 Q9NSD5 5/20 0.36
SLC6A1 P30531 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRB2 P47870 4/20 0.36
GABRA1 P14867 3/20 0.36
GABRR1 P24046 3/20 0.36
GABRA4 P48169 3/20 0.36
MALT1 Q9UDY8 1/20 0.32
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL26267274 1.00 ITGB3 (0.39) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL2551365 1.00 ITGB3 (0.39) ITGB3ITGB2ITGB1ITGAVITGA2B
Hydrochloric Acid SCHEMBL15572261 0.98 ITGB3 (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL27276448 0.82 IRAK4 (0.37) ARG1MALT1MAP4K1IRAK4
SCHEMBL2920617 0.82 IRAK4 (0.37) ARG1MALT1MAP4K1IRAK4
SCHEMBL2380660 0.81 ARG1 (0.33) ARG1MALT1MAP4K1IRAK4
SCHEMBL4666386 0.81 ARG1 (0.38) ARG1MALT1
SCHEMBL16771700 0.81 ARG1 (0.38) ARG1MALT1
SCHEMBL16771693 0.81 ARG1 (0.38) ARG1MALT1
SCHEMBL31017525 0.80 MALT1 (0.38) ITGB1ITGA5ARG1MALT1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed