SCHEMBL12799682

SCHEMBL12799682

C=C(OCOCCCCOC(=O)C(=C)C1=NCCO1)C1=NCCO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL16316689 0.81 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28719756 0.81 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4453599 0.77 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2310963 0.62 TSHR (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12799690 0.59 TSHR (0.31)
SCHEMBL28845996 0.59
SCHEMBL25181753 0.58 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11785635 0.58 ADRA2A (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3083531 0.57 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28701637 0.57

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-7906582-B2 Polymerizable composition, tacky material, and adhesive FUJIFILM CORPORATION (JP) 2011-03-15 US disclosed
US-7690783-B2 Ink for inkjet printing, lithographic printing plate using it and method for making such plate FUJIFILM CORPORATION (JP) 2010-04-06 US disclosed