SCHEMBL13879211

SCHEMBL13879211

Nc1cc(CO[PH](=O)O)cc(CO[PH](=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL27850575 0.81 CYP19A1 (0.47)
SCHEMBL4076437 0.81 APP (0.46)
Butane SCHEMBL9443644 0.75 APP (0.41)
Aniline SCHEMBL29187471 0.73 MAOB (0.50) PRSS1
Aniline SCHEMBL29187472 0.73 MAOB (0.50) PRSS1
SCHEMBL1977482 0.72 ALDH1A1 (0.42)
SCHEMBL9849186 0.72 TAAR1 (0.55)
SCHEMBL28119658 0.71 ABAT (0.48) PRSS1
SCHEMBL8606946 0.71 GABRP (0.51)
SCHEMBL27850479 0.71 CA12 (0.37)

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
EP-1548029-B1 Peptid- and peptide mimetic derivatives having integrin inhibitor properties III BIOMET DEUTSCHLAND GMBH (DE) 2009-04-15 EP disclosed