SCHEMBL9047170

SCHEMBL9047170

COC1(c2cnc(Sc3ccc(C(C)=O)cc3)s2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.58
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACACB O00763 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
MLYCD O95822 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
SCHEMBL9074083 0.87 ALOX5 (0.44) ALOX5LMNAMAPTKMT2A
SCHEMBL9074084 0.87 ALOX5 (0.44) ALOX5LMNAMAPTKMT2A
SCHEMBL9074081 0.87 ALOX5 (0.44) ALOX5LMNAMAPTKMT2A
SCHEMBL9048184 0.86 ALOX5 (0.52) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9048180 0.86 ALOX5 (0.52) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9049175 0.83 ALOX5 (0.41) ALOX5
SCHEMBL9050252 0.80 ALOX5 (0.41) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9047915 0.79 ALOX5 (0.57) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9046413 0.79 ALOX5 (0.40) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9046815 0.77 MAOB (0.38) ALOX5HPGDL3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
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
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed