SCHEMBL5174657

SCHEMBL5174657

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
ITGAV P06756 5/20 0.52
YAP1 P46937 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL8588059 0.96 ITGB3 (0.47) ITGB3ITGA2BITGAVYAP1HDAC8
SCHEMBL4918524 0.91 ITGB3 (0.60) ITGB3ITGA2BITGAVLMNA
SCHEMBL4835350 0.91 ITGB3 (0.60) ITGB3ITGA2BITGAVLMNA
SCHEMBL7218511 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVEPHX2
SCHEMBL14253147 0.89 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL4832543 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAVLMNA
SCHEMBL5560208 0.84 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7216246 0.81 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7224008 0.81 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL5177244 0.81 ITGB3 (0.44) ITGB3ITGA2BITGAVHRH2HRH1

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
EP-0820991-B1 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2007-08-29 EP disclosed
EP-0820991-A2 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed