SCHEMBL8979505

SCHEMBL8979505

CN1C(=O)CCc2cc(Sc3ncc(C4(C)CC(O)CCO4)s3)c(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
CYP11B1 P15538 15/20 0.35
CYP11B2 P19099 14/20 0.35

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
SCHEMBL8979486 0.82 ALOX5 (0.47) ALOX5CYP11B1CYP11B2
SCHEMBL9435738 0.79 ALOX5 (0.42) ALOX5CYP11B1CYP11B2
SCHEMBL2109199 0.79 ALOX5 (0.42) ALOX5CYP11B1CYP11B2
SCHEMBL4603569 0.79 ALOX5 (0.42) ALOX5CYP11B1CYP11B2
SCHEMBL9435741 0.79 ALOX5 (0.42) ALOX5CYP11B1CYP11B2
SCHEMBL8979499 0.79 ALOX5 (0.38) ALOX5CYP11B1CYP11B2
SCHEMBL8979500 0.76 ALOX5 (0.38) ALOX5CYP11B1CYP11B2
SCHEMBL8551667 0.75 ALOX5 (0.37) ALOX5CYP11B1
SCHEMBL8979516 0.70 ALOX5 (0.46) ALOX5CYP11B1CYP11B2
SCHEMBL8979495 0.68 TRIM24 (0.35) 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