SCHEMBL8979601

SCHEMBL8979601

CC1OCCC(O)C1c1cccc(Sc2cc(Cl)c3c(c2)CCC(=O)N3C)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
ALOX5 P09917 3/20 0.32

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
SCHEMBL8979523 0.81 CYP1A2 (0.34) CYP11B1CYP11B2
SCHEMBL8979497 0.78 ALOX5 (0.36) CYP11B1CYP11B2ALOX5
SCHEMBL8979610 0.78 ATAD2 (0.43) CYP11B1CYP11B2ALOX5
SCHEMBL8979508 0.76 ALOX5 (0.46) CYP11B1CYP11B2ALOX5
SCHEMBL8979552 0.75 ATAD2 (0.32) ALOX5
SCHEMBL8979542 0.75 TRPV1 (0.36) CYP11B1CYP11B2ALOX5
SCHEMBL8979603 0.74 ALOX5 (0.34) CYP11B1CYP11B2ALOX5
SCHEMBL8979489 0.74 ALOX5 (0.35) ALOX5
SCHEMBL2108288 0.73 ALOX5 (0.33) ALOX5
SCHEMBL5989847 0.69 ALOX5 (0.42) CYP11B1CYP11B2ALOX5

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