SCHEMBL8327726

SCHEMBL8327726

CC(C)(C)COC(=O)NC(Cc1ccc2c(c1)NC(=O)[C@H](CCC(=O)Nc1ncc[nH]1)O2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.39
ITGAV P06756 4/20 0.39
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ITGA2B P08514 4/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL3046224 1.00 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL1378559 1.00 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4687097 1.00 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL14143519 0.93 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4682248 0.93 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4681624 0.93 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7163504 0.91 ACE (0.41) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7163716 0.91 ACE (0.41) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7165621 0.91 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7163786 0.90 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1

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-2004072054-A1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2004-08-26 WO disclosed