SCHEMBL8979497

SCHEMBL8979497

CC1OCCC(O)C1c1cccc(Sc2cc3c(cc2F)N(C)C(=O)CC3)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
TRPV1 Q8NER1 15/20 0.36
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 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
SCHEMBL8979542 0.84 TRPV1 (0.36) ALOX5TRPV1CYP11B1CYP11B2
SCHEMBL8979482 0.83 ALOX5 (0.34) ALOX5CYP11B1CYP11B2
SCHEMBL8979491 0.80 TRIM24 (0.36) TRPV1CYP11B1CYP11B2
SCHEMBL8979508 0.79 ALOX5 (0.46) ALOX5TRPV1CYP11B1CYP11B2
SCHEMBL8979500 0.79 ALOX5 (0.38) ALOX5CYP11B1CYP11B2
SCHEMBL8979601 0.78 CYP11B1 (0.33) ALOX5CYP11B1CYP11B2
SCHEMBL8979610 0.77 ATAD2 (0.43) ALOX5CYP11B1CYP11B2
SCHEMBL8979552 0.75 ATAD2 (0.32) ALOX5
SCHEMBL8979499 0.73 ALOX5 (0.38) ALOX5TRPV1CYP11B1CYP11B2
SCHEMBL2109679 0.73 ALOX5 (0.37) ALOX5TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed