SCHEMBL7197381

SCHEMBL7197381

Cc1cc([C@]2(C(N)=O)CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2)C(C)C)ccc1NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.41
ITGA4 P13612 9/20 0.41
CTSL P07711 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
CCR1 P32246 1/20 0.36
CTSD P07339 2/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36
PSMB2 P49721 1/20 0.36
BACE1 P56817 4/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
KEAP1 Q14145 1/20 0.35

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
SCHEMBL7197725 0.96 ITGB1 (0.41) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7198903 0.89 CTSL (0.39) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7199086 0.89 ITGB1 (0.40) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7202292 0.88 CTSL (0.38) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7197696 0.87 ITGB1 (0.37) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7200493 0.87 ITGB1 (0.43) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7203259 0.87 ITGB1 (0.36) ITGB1ITGA4CCR1BACE1
SCHEMBL7198890 0.84 CTSL (0.38) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7198167 0.84 CTSL (0.38) ITGB1ITGA4CTSLPSEN1PSEN2
SCHEMBL7196140 0.83 ITGB1 (0.38) ITGB1ITGA4CTSLPSEN1PSEN2

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-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed