SCHEMBL9831016

SCHEMBL9831016

NC(=O)N(O)CCc1ccc(N(C=O)Cc2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.42
HDAC3 O15379 8/20 0.38
HDAC4 P56524 8/20 0.38
HDAC1 Q13547 8/20 0.38
HDAC7 Q8WUI4 8/20 0.38
HDAC2 Q92769 8/20 0.38
HDAC10 Q969S8 8/20 0.38
HDAC11 Q96DB2 8/20 0.38
HDAC8 Q9BY41 8/20 0.38
HDAC6 Q9UBN7 8/20 0.38
HDAC9 Q9UKV0 8/20 0.38
HDAC5 Q9UQL6 8/20 0.38
G6PC1 P35575 1/20 0.36

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
SCHEMBL9834151 0.77 ALOX5 (0.47) ALOX5
SCHEMBL8809341 0.74 ALOX5 (0.55) ALOX5
SCHEMBL9833184 0.74 ALOX5 (0.51) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL9834288 0.73 ALOX5 (0.59) ALOX5
SCHEMBL9832067 0.72 ALOX5 (0.45) ALOX5
SCHEMBL9833394 0.71 ALOX5 (0.74) ALOX5
SCHEMBL9373618 0.68 ALOX5 (0.57) ALOX5HDAC1
SCHEMBL8814587 0.68 ALOX5 (0.59) ALOX5
SCHEMBL9831384 0.68 ALOX5 (0.45) ALOX5
SCHEMBL9832426 0.68 ALOX5 (0.71) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed