SCHEMBL1063246

SCHEMBL1063246

NC(=O)CCc1ccn(C[C@@H](O)CO)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.35
HDAC1 Q13547 18/20 0.34
HDAC7 Q8WUI4 10/20 0.33
RORC P51449 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL1062839 1.00 LPAR1 (0.35) LPAR1HDAC1HDAC7RORCHDAC3
SCHEMBL1082327 0.76 ADA (0.35)
SCHEMBL2701890 0.76 ADA (0.35)
Hydrochloric Acid SCHEMBL1082147 0.75 ADA (0.34)
SCHEMBL1066313 0.72 HDAC1 (0.39) HDAC1HDAC7HDAC3HDAC4HDAC2
SCHEMBL1067071 0.72 ALDH1A1 (0.40) RORC
SCHEMBL1080403 0.72 ALDH1A1 (0.40) RORC
SCHEMBL1067067 0.72 ALDH1A1 (0.40) RORC
SCHEMBL1062843 0.71 EPHX1 (0.33)
SCHEMBL1062836 0.71 EPHX1 (0.33)

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-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed