SCHEMBL8348986

SCHEMBL8348986

COC(=O)[C@H](Cc1c[nH]cn1)N1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 16/20 0.45
CTSK P43235 2/20 0.41
KDM6A O15550 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL6327558 1.00 KDM4D (0.45) KDM4DCTSKKDM6AJAK2JAK1
SCHEMBL6400934 0.91 KDM4D (0.47) KDM4DCTSKKDM6A
SCHEMBL6325415 0.91 KDM4D (0.47) KDM4DCTSKKDM6A
SCHEMBL8349034 0.83 CTSL (0.49) CTSK
SCHEMBL8363823 0.83 KDM4D (0.43) KDM4DKDM6A
SCHEMBL14375271 0.79 GAA (0.38)
SCHEMBL8366352 0.78 SIRT2 (0.46) KDM4D
SCHEMBL8348613 0.78 SIRT2 (0.46) KDM4D
Trifluoroacetic Acid SCHEMBL6327175 0.77 CPB2 (0.43)
SCHEMBL6326900 0.76 CTSL (0.51) CTSK

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
WO-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed
WO-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 WO disclosed