SCHEMBL22435286

SCHEMBL22435286

N=C(/C=C1/CCCN1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA4 P13612 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL22435208 0.94 FKBP5 (0.34) ITGB3ITGB1ITGAVITGA4
SCHEMBL16107849 0.84
SCHEMBL12963772 0.84
SCHEMBL16107526 0.84
SCHEMBL19012984 0.83 OR51E2 (0.31) OR51E2
SCHEMBL22435291 0.79 TSHR (0.30)
SCHEMBL4648884 0.78 ITGB3 (0.43) OR51E2ITGB3ITGB1ITGAVITGA4
SCHEMBL18796727 0.78 ITGB3 (0.43) OR51E2ITGB3ITGB1ITGAVITGA4
SCHEMBL13545399 0.76 ITGB3 (0.42) OR51E2ITGB3ITGB1ITGAVITGA4
SCHEMBL22435204 0.74 FKBP5 (0.31)

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-2020185606-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. (US) 2020-09-17 WO disclosed