SCHEMBL9051296

SCHEMBL9051296

COC1(c2csc(Sc3ccc(C(C)=O)cc3)c2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.56
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9048727 0.87 ALOX5 (0.50) ALOX5LMNAMAPT
SCHEMBL9049465 0.87 ALOX5 (0.50) ALOX5LMNAMAPT
SCHEMBL9075981 0.87 ALOX5 (0.50) ALOX5LMNAMAPT
SCHEMBL9272569 0.85 ALOX5 (0.51) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9272567 0.85 ALOX5 (0.51) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9048284 0.83 ALOX5 (0.41) ALOX5
SCHEMBL9046831 0.81 ALOX5 (0.38) ALOX5
SCHEMBL9085434 0.81 ALOX5 (0.42) ALOX5
SCHEMBL9049501 0.81 HPGD (0.47) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9074258 0.79 ALOX5 (0.41) 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 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