SCHEMBL8979547

SCHEMBL8979547

CN1C(=O)CCc2c1ccc(Sc1cccc(C3(C)CC(O)CCO3)c1)c2F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 3/20 0.32
TRPV1 Q8NER1 4/20 0.31

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
SCHEMBL8979499 0.85 ALOX5 (0.38) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979526 0.81 CYP11B1 (0.32) CYP11B1CYP11B2TRPV1
SCHEMBL8553417 0.78 ALOX5 (0.33) ALOX5TRPV1
SCHEMBL8979516 0.76 ALOX5 (0.46) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979603 0.76 ALOX5 (0.34) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979613 0.74 ATAD2 (0.40) ALOX5CYP11B1CYP11B2
SCHEMBL8979542 0.73 TRPV1 (0.36) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979556 0.72 GAA (0.31) ALOX5
SCHEMBL8979512 0.71 ALOX5 (0.41) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979495 0.71 TRIM24 (0.35) CYP11B1CYP11B2TRPV1

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