SCHEMBL9078235

SCHEMBL9078235

NC(=O)N(O)CC#CCc1ccc(Oc2ccc(F)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.55
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34

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
SCHEMBL9024981 0.84 ALOX5 (0.50) ALOX5
SCHEMBL527586 0.80 ALOX5 (0.72) ALOX5
SCHEMBL8305231 0.79 ALOX5 (0.58) ALOX5
SCHEMBL9026098 0.78 ALOX5 (0.55) ALOX5
SCHEMBL9023854 0.78 ALOX5 (0.51) ALOX5
SCHEMBL6008802 0.77 ALOX5 (0.70) ALOX5
SCHEMBL9025717 0.76 ALOX5 (0.49) ALOX5
SCHEMBL9045890 0.71 ALOX5 (1.00) ALOX5
SCHEMBL9025000 0.70 ALOX5 (0.56) ALOX5
SCHEMBL9025772 0.70 ALOX5 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731688-A1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS Abbott Laboratories (US) 1996-09-18 EP disclosed
WO-1995015151-A1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS ABBOTT LABORATORIES (US) 1995-06-08 WO disclosed