SCHEMBL9074879

SCHEMBL9074879

CO[C@]1(c2csc(Sc3ccc4c(c3)CCC4=NOC(C)=O)c2)CCO[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL9074018 0.91 ALDH1A1 (0.33) ALOX5MAPTNPC1NFKB1RAB9A
SCHEMBL9077133 0.88 HTT (0.33) ALOX5
SCHEMBL9076846 0.88 HTT (0.33) ALOX5
SCHEMBL9077130 0.88 HTT (0.33) ALOX5
SCHEMBL9076849 0.88 HTT (0.33) ALOX5
SCHEMBL9077136 0.88 HTT (0.33) ALOX5
SCHEMBL9046459 0.84 ALOX5 (0.35) ALOX5
SCHEMBL9051191 0.84 ALOX5 (0.35) ALOX5
SCHEMBL9075774 0.84 ALOX5 (0.38) ALOX5
SCHEMBL9045913 0.78 ALOX5 (0.53) ALOX5MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed