SCHEMBL9306400

SCHEMBL9306400

CC(C)(C)OC(=O)N(O)CC1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
EPHX1 P07099 2/20 0.39
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.38
GAA P10253 1/20 0.36
KDM5A P29375 3/20 0.36
PHF8 Q9UPP1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HPGD P15428 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL21574018 0.84 HTR2C (0.42) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL8911411 0.84 HTR2C (0.42) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL7329124 0.83 ALOX5 (0.43) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL4780561 0.81 ALOX5 (0.39) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL7186502 0.80 ALOX5 (0.41) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL6680983 0.79 CTSK (0.37) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL7702211 0.79 EPHX1 (0.38) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL1845039 0.79 SSTR4 (0.38) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL16070291 0.79 ALOX5 (0.37) ALOX5EPHX1CTSKCTSSGAA
SCHEMBL1843886 0.79 EPHX1 (0.38) ALOX5EPHX1CTSKCTSSGAA

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-5326787-A Cycloalkyl N-hydroxy derivatives having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1994-07-05 US disclosed