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SCHEMBL15748405

SCHEMBL15748405

NC(=O)CC1NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C2COC/C=C\COCC(NC1=O)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(C(N)=O)CSCC(=O)N2

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRB7 Q14451 2/20 0.85
▸ SLC6A3 Q01959 1/20 0.53
▸ EHD1 Q9H4M9 5/20 0.52
▸ ITGB3 P05106 4/20 0.51
▸ ITGAV P06756 4/20 0.51
▸ ITGA5 P08648 4/20 0.51
▸ ITGB1 P05556 2/20 0.51
▸ ITGA2B P08514 2/20 0.51
▸ ITGB5 P18084 2/20 0.51
▸ LDLR P01130 6/20 0.50
▸ PCSK9 Q8NBP7 6/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ CTSG P08311 1/20 0.48

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
SCHEMBL13254563 0.78 EPS15 (0.61) LDLRPCSK9CTSG
SCHEMBL15748376 0.77 GRB7 (0.72) GRB7ITGB3ITGA2BCTSG
SCHEMBL15748380 0.76 GRB7 (0.70) GRB7ITGB3ITGA2BKEAP1
SCHEMBL31237781 0.73 HDAC4 (0.57) —
SCHEMBL13254567 0.72 PCSK9 (0.65) SLC6A3ITGB3ITGAVITGA2BPCSK9
SCHEMBL19432881 0.72 SLC6A3 (0.73) GRB7SLC6A3EHD1ITGB3ITGAV
SCHEMBL24483647 0.71 SLC6A3 (0.85) SLC6A3ITGB3ITGAVITGA5ITGB1
SCHEMBL30637574 0.71 HDAC4 (0.56) —
SCHEMBL19432936 0.70 SLC6A3 (0.88) GRB7SLC6A3EHD1ITGB3ITGAV
SCHEMBL25942530 0.70 PCSK9 (0.61) PCSK9

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
WO-2014078889-A1 IMPROVED INHIBITORS OF GRB7 MONASH UNIVERSITY (AU) 2014-05-30 — — WO disclosed