SCHEMBL8979495

SCHEMBL8979495

CN1C(=O)CCc2cc(S(=O)(=O)c3cccc(C4(C)CC(O)CCO4)c3)c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.35
TRPV1 Q8NER1 14/20 0.35
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 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
SCHEMBL8979526 0.85 CYP11B1 (0.32) TRPV1CYP11B1CYP11B2
SCHEMBL8979499 0.81 ALOX5 (0.38) TRPV1CYP11B1CYP11B2
SCHEMBL8979554 0.80 TRIM24 (0.38) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8557669 0.78 TRIM24 (0.35) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8979492 0.78 ATAD2 (0.39) CYP11B1CYP11B2
SCHEMBL8979550 0.75 TRIM24 (0.35) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8979491 0.74 TRIM24 (0.36) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8979486 0.73 ALOX5 (0.47) TRPV1CYP11B1CYP11B2
SCHEMBL8979547 0.71 ALOX5 (0.33) TRPV1CYP11B1CYP11B2
SCHEMBL8979516 0.70 ALOX5 (0.46) TRIM24TRPV1CYP11B1CYP11B2

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