SCHEMBL9430239

SCHEMBL9430239

O=C(O)C=NOC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.75
ALOX5AP P20292 1/20 0.65
CYSLTR2 Q9NS75 2/20 0.55
CYSLTR1 Q9Y271 2/20 0.55
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52

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
SCHEMBL9459973 0.84 ALOX5 (0.71) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL9459979 0.84 ALOX5 (0.67) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL9460496 0.83 ALOX5 (0.69) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL8965285 0.82 ALOX5 (0.65) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL9459968 0.82 ALOX5 (0.65) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL8799848 0.81 ALOX5 (0.70) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL8555241 0.80 ALOX5 (0.72) ALOX5CYSLTR2CYSLTR1
SCHEMBL9430244 0.80 ALOX5 (0.67) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1
SCHEMBL8555093 0.79 ALOX5 (0.71) ALOX5CYSLTR2CYSLTR1
SCHEMBL6009764 0.79 ALOX5AP (1.00) ALOX5ALOX5APCYSLTR2CYSLTR1FFAR1

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-5358955-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1994-10-25 US claimed
US-5358955-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1994-10-25 US disclosed