SCHEMBL8307867

SCHEMBL8307867

C#CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30

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
SCHEMBL23925352 0.85 HDAC6 (0.34) HDAC6HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL9171625 0.78 HDAC6 (0.50) HDAC6HDAC1HDAC2
SCHEMBL6692478 0.76 HDAC6 (0.36) HDAC6HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL1207293 0.76 CA14 (0.39) HDAC6HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL1743767 0.74 HDAC6 (0.35) HDAC6HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL3012891 0.74 HDAC6 (0.46) HDAC6HDAC1HDAC2
SCHEMBL18756074 0.74 HDAC6 (0.46) HDAC6HDAC1HDAC2
SCHEMBL30897721 0.73 HDAC6 (0.34) HDAC6HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL23752124 0.72 HDAC6 (0.46) HDAC6HDAC1HDAC2
SCHEMBL20383538 0.72 HDAC6 (0.45) HDAC6HDAC1HDAC2

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-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed