SCHEMBL8557659

SCHEMBL8557659

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.76
ITGA2B P08514 10/20 0.76
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TMPRSS15 P98073 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
PRSS1 P07477 2/20 0.37
F10 P00742 2/20 0.37
F2 P00734 1/20 0.36
PRSS2 P07478 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
SCHEMBL8554765 0.91 ITGB3 (0.71) ITGB3ITGA2BMEN1KMT2AHDAC3
SCHEMBL8557508 0.88 ITGB3 (0.76) ITGB3ITGA2BMEN1KMT2AHDAC3
SCHEMBL8559373 0.87 ITGB3 (0.74) ITGB3ITGA2BMEN1KMT2AHDAC3
SCHEMBL8552738 0.83 ITGB3 (0.69) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8552720 0.83 ITGB3 (0.68) ITGB3ITGA2BMEN1KMT2ATMPRSS15
SCHEMBL8553760 0.82 ITGB3 (0.59) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8558211 0.82 ITGB3 (0.67) ITGB3ITGA2BMEN1KMT2AHDAC3
SCHEMBL8833323 0.82 ITGB3 (0.64) ITGB3ITGA2BMEN1KMT2ATMPRSS15
Trifluoroacetic Acid SCHEMBL8553251 0.82 ITGB3 (0.69) ITGB3ITGA2BMEN1KMT2APKM
SCHEMBL8832689 0.81 ITGB3 (0.63) ITGB3ITGA2BMEN1KMT2ATMPRSS15

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 3 patents. 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
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed