SCHEMBL14209158

SCHEMBL14209158

CC(C)(C)[Si](C)(C)OC1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C2(Cc2ccc(C#N)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.40
ITGB2 P05107 10/20 0.40
ICAM1 P05362 10/20 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
SCHEMBL4864731 1.00 ITGAL (0.40) ITGALITGB2ICAM1
SCHEMBL4866024 1.00 ITGAL (0.40) ITGALITGB2ICAM1
SCHEMBL4848534 0.89 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL4865762 0.83 ITGAL (0.42) ITGALITGB2ICAM1
SCHEMBL14040721 0.82 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL4797574 0.82 TRPV4 (0.31) ITGALITGB2ICAM1
SCHEMBL4801893 0.81 TRPV4 (0.33) ITGALITGB2ICAM1
SCHEMBL14040688 0.80 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL8354466 0.80 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4856989 0.80 ITGAL (0.44) ITGALITGB2ICAM1

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-7375128-B2 Inhibitors of α1 β2 integrin mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-20 US disclosed