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Sugi Predict / Compounds / SCHEMBL5188997

SCHEMBL5188997

SCHEMBL5188997

COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.67
▸ ITGB1 P05556 19/20 0.67
▸ ITGB7 P26010 17/20 0.67

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
SCHEMBL5159950 0.92 ITGA4 (0.79) ITGA4ITGB1ITGB7
SCHEMBL27493141 0.92 ITGA4 (0.79) ITGA4ITGB1ITGB7
SCHEMBL5162586 0.89 ITGB1 (0.84) ITGA4ITGB1ITGB7
SCHEMBL6256532 0.84 ITGB1 (0.69) ITGA4ITGB1ITGB7
SCHEMBL5177314 0.84 ITGB1 (0.85) ITGA4ITGB1ITGB7
SCHEMBL5162527 0.83 ITGA4 (0.85) ITGA4ITGB1ITGB7
SCHEMBL5160206 0.80 ITGB1 (1.00) ITGA4ITGB1ITGB7
SCHEMBL5162650 0.80 ITGA4 (0.56) ITGA4ITGB1ITGB7
SCHEMBL5162137 0.77 ITGB1 (0.81) ITGA4ITGB1ITGB7
SCHEMBL14564318 0.77 ITGA4 (0.56) ITGA4ITGB1ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 — — EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 — — EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 — — US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 — — WO disclosed