SCHEMBL9255545

SCHEMBL9255545

COC1(c2cncc(O)c2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.40
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL9229297 0.82 ALOX5 (0.45) ALOX5
SCHEMBL1599480 0.76 ALOX5 (0.54) ALOX5
SCHEMBL1598547 0.75 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL8698139 0.75 ALOX5 (0.51) ALOX5
SCHEMBL12199577 0.73 ALOX5 (0.44) ALOX5
SCHEMBL31543489 0.73 ALOX5 (0.39) ALOX5
SCHEMBL9226945 0.72 ALOX5 (0.38) ALOX5PTGS1PTGS2
SCHEMBL9220205 0.71 SLC6A2 (0.30)
SCHEMBL7481034 0.68 ALOX5 (0.53) ALOX5PTGS1PTGS2
SCHEMBL8630364 0.68 ALOX5 (0.42) ALOX5PTGS1

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
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed