SCHEMBL13167933

SCHEMBL13167933

COC(=O)[C@H](CNC(C)=O)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.63
▸ ICAM1 P05362 20/20 0.63
▸ ITGAL P20701 20/20 0.63

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
SCHEMBL10130071 0.94 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL12719224 0.93 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL10129876 0.92 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL879401 0.86 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL12048775 0.85 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL10130081 0.84 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL16307470 0.83 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL10130084 0.83 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL10130097 0.83 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL10130096 0.83 ITGB2 (0.59) ITGB2ICAM1ITGAL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — US disclosed
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