SCHEMBL9299528

SCHEMBL9299528

C#CCN(OC(C)c1ccc(Sc2cc(F)cc(C3(OC)CCOCC3)c2)cc1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.46
PTGS1 P23219 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
SCHEMBL9300461 0.93 ALOX5 (0.47) ALOX5PTGS1
SCHEMBL9301044 0.82 ALOX5 (0.47) ALOX5PTGS1
SCHEMBL9250463 0.81 ALOX5 (0.52) ALOX5PTGS1
SCHEMBL9219056 0.81 ALOX5 (0.42) ALOX5PTGS1
SCHEMBL9299527 0.80 ALOX5 (0.41) ALOX5PTGS1
SCHEMBL9036639 0.79 ALOX5 (0.46) ALOX5PTGS1
SCHEMBL9255208 0.79 ALOX5 (0.47) ALOX5PTGS1
SCHEMBL9213730 0.78 ALOX5 (0.44) ALOX5PTGS1
SCHEMBL9037267 0.78 ALOX5 (0.44) ALOX5PTGS1
SCHEMBL9211287 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334614-A Lipoxygenase inhibitor ZENECA LTD. (GB) 1994-08-02 US claimed
US-5334614-A Lipoxygenase inhibitor ZENECA LTD. (GB) 1994-08-02 US disclosed