SCHEMBL8169564

SCHEMBL8169564

CC[CH]N(C(=O)OC(C)(C)C)/C(N)=N/C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6373798 0.78 HDAC6 (0.33) HDAC6
SCHEMBL12483135 0.75 HDAC1 (0.31) HDAC6
SCHEMBL6813444 0.75 HDAC1 (0.31) HDAC6
SCHEMBL3928699 0.74 HDAC1 (0.30) HDAC6
SCHEMBL6403514 0.72
SCHEMBL991813 0.71 HDAC1 (0.36) HDAC6
SCHEMBL28331499 0.71
SCHEMBL8670355 0.70
SCHEMBL5298045 0.69 CA14 (0.31) HDAC6
SCHEMBL5846398 0.69 CA14 (0.31) HDAC6

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
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed