SCHEMBL13689656

SCHEMBL13689656

O=C(N[C@@H](Cc1ccc(OC(=O)C2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1)C(=O)O)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.55
ITGA4 P13612 11/20 0.55
ITGB7 P26010 9/20 0.55
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
OPRM1 P35372 4/20 0.41
OPRK1 P41145 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRD1 P41143 3/20 0.41
SLC6A9 P48067 3/20 0.40
SLC6A5 Q9Y345 3/20 0.40

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
SCHEMBL13693097 0.92 ITGB1 (0.46) ITGB1ITGA4ITGB7OPRM1OPRK1
SCHEMBL13602001 0.88 ITGB1 (0.66) ITGB1ITGA4ITGB7OPRM1OPRK1
SCHEMBL13693055 0.79 ITGB1 (0.54) ITGB1ITGA4ITGB7OPRM1OPRK1
SCHEMBL6807415 0.73 ITGA4 (0.50) ITGB1ITGA4ITGB7OPRM1OPRK1
SCHEMBL11750694 0.73 ITGB1 (0.72) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL6807468 0.72 ITGB1 (0.54) ITGB1ITGA4ITGB7
SCHEMBL13601993 0.71 ITGB1 (0.84) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL8278642 0.71 ITGA4 (0.79) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL13601965 0.71 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL13602006 0.71 ITGB1 (0.79) ITGB1ITGA4ITGB7ITGB3ITGAV

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-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed