SCHEMBL4386920

SCHEMBL4386920

CCCCCCCCCCCCNNC(=O)c1ccccc1O.NNC(=O)c1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.66
HDAC3 O15379 10/20 0.57
HDAC1 Q13547 8/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC8 Q9BY41 4/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL6636469 0.94 NAAA (0.73) NAAAHDAC3HDAC1HDAC2HDAC8
SCHEMBL8934416 0.93 NAAA (0.70) NAAAHDAC3HDAC1HDAC2HDAC8
SCHEMBL6634756 0.89 HDAC3 (0.70) NAAAHDAC3HDAC1HDAC2HDAC8
SCHEMBL4386922 0.87 NAAA (0.59) NAAAHDAC3HDAC1HDAC2CA1
Decane SCHEMBL5685479 0.86 NAAA (0.68) NAAACA1CA9
SCHEMBL259037 0.85 NAAA (0.47) NAAAHDAC3HDAC1HDAC2CA1
Dodecanoate SCHEMBL1805754 0.81 NAAA (0.61) NAAAHDAC11
Dodecanoate SCHEMBL3096668 0.81 NAAA (0.61) NAAAHDAC11
Salicylic Acid SCHEMBL7351703 0.80 NAAA (0.57) NAAAHDAC3HDAC1HDAC2HDAC8
SCHEMBL3155982 0.80 NAAA (1.00) NAAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449864-B1 CRYSTALLINE POLYGLYCOLIC ACID,POLYGLYCOLIC ACID COMPOSITION AND PROCESSES FOR PRODUCTION OF BOTH KUREHA CORP (JP) 2009-12-02 EP claimed