SCHEMBL8554843

SCHEMBL8554843

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](N(C=O)CC(=O)c2ccc(OCC(=O)O)c(OCC(=O)O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ACACB O00763 11/20 0.43
ACACA Q13085 7/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL8553247 0.83 ITGB3 (0.44) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8558208 0.81 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8552738 0.81 ITGB3 (0.69) ITGB3ITGA2BACACBACACAMEN1
SCHEMBL8559370 0.80 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2A
SCHEMBL2011176 0.76 ITGB3 (0.54) ITGB3ITGA2BMEN1KMT2A
SCHEMBL3856967 0.71 DRD2 (0.43) ACACBACACADRD2CKS1BSKP1
SCHEMBL7798164 0.70 ITGB3 (0.61) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL7798200 0.69 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8171288 0.69 MEN1 (0.52) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8556201 0.68 ITGB3 (0.66) ITGB3ITGA2BMEN1KMT2A

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
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed