SCHEMBL8967160

SCHEMBL8967160

CN(O)C(=O)CCOC(C(=N)C1CCCCC1)c1ccc(OCc2cscn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.48
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.32
HPGD P15428 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL8965327 0.88 ALOX5 (0.49) ALOX5LMNAFFAR1MMP13MMP14
SCHEMBL8965945 0.82 ALOX5 (0.54) ALOX5HDAC6
SCHEMBL8800737 0.74 ALOX5 (0.51) ALOX5LMNAFFAR1MMP13MMP14
SCHEMBL8801377 0.73 ALOX5 (0.50) ALOX5LMNAL3MBTL1FFAR1MMP13
SCHEMBL8799350 0.70 ALOX5 (0.60) ALOX5HDAC6
SCHEMBL8800021 0.69 ALOX5 (0.58) ALOX5MMP13MMP14HDAC6
SCHEMBL8801122 0.68 ALOX5 (0.60) ALOX5
SCHEMBL8967518 0.67 ALOX5 (0.59) ALOX5HDAC6
SCHEMBL8799902 0.67 ALOX5 (0.53) ALOX5MMP13MMP14HDAC6CACNA1B
SCHEMBL8800909 0.67 ALOX5 (0.58) ALOX5HDAC6MEN1KMT2A

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
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed