SCHEMBL8979522

SCHEMBL8979522

CC1OCCC(O)C1c1cccc(S(=O)(=O)c2ccc3c(c2F)CCC(=O)N3C)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.36
CYP11B1 P15538 6/20 0.32
CYP11B2 P19099 4/20 0.31
TRIM24 O15164 1/20 0.31
HTR6 P50406 2/20 0.30

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
SCHEMBL8979491 0.85 TRIM24 (0.36) TRPV1CYP11B1CYP11B2TRIM24
SCHEMBL8979542 0.80 TRPV1 (0.36) TRPV1CYP11B1CYP11B2
SCHEMBL8979548 0.77 TRIM24 (0.39) TRPV1CYP11B1CYP11B2TRIM24
SCHEMBL8979490 0.74 ATAD2 (0.42) CYP11B1CYP11B2HTR6
SCHEMBL8557003 0.74 TRPV1 (0.30) TRPV1CYP11B1
SCHEMBL8979526 0.74 CYP11B1 (0.32) TRPV1CYP11B1CYP11B2
SCHEMBL8979497 0.70 ALOX5 (0.36) TRPV1CYP11B1CYP11B2
SCHEMBL8979508 0.66 ALOX5 (0.46) TRPV1CYP11B1CYP11B2TRIM24
SCHEMBL8553131 0.65 CYP11B1 (0.40) TRPV1CYP11B1CYP11B2TRIM24
SCHEMBL8979601 0.64 CYP11B1 (0.33) CYP11B1CYP11B2

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