SCHEMBL21784680

SCHEMBL21784680

CC1=C(/C=C\C(C)(C)CCCCOC2CCN(C(C(=O)O)c3ccccc3C3CCCO3)C2)CCCN1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 4/20 0.33
ITGB6 P18564 4/20 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
SCHEMBL21784679 0.81
SCHEMBL21784935 0.79
SCHEMBL21784602 0.78 ITGAV (0.48) ITGAVITGB6
SCHEMBL21767362 0.78 ITGAV (0.48) ITGAVITGB6
SCHEMBL21767360 0.78 ITGAV (0.48) ITGAVITGB6
SCHEMBL21784601 0.78 ITGAV (0.48) ITGAVITGB6
SCHEMBL21767323 0.77 ITGAV (0.48) ITGAVITGB6
SCHEMBL31072050 0.77 ITGAV (0.48) ITGAVITGB6
SCHEMBL21767322 0.77 ITGAV (0.48) ITGAVITGB6
SCHEMBL28568740 0.77 ITGAV (0.37) ITGAVITGB6

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-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed