SCHEMBL8979512

SCHEMBL8979512

CN1C(=O)CCc2cc(Sc3cccc(C4(C)CC(O)C(F)CO4)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
TRIM24 O15164 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
TRPV1 Q8NER1 11/20 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
SCHEMBL8979550 0.83 TRIM24 (0.35) ALOX5TRIM24CYP11B1CYP11B2CYP17A1
SCHEMBL8979516 0.76 ALOX5 (0.46) ALOX5TRIM24CYP11B1CYP11B2TRPV1
SCHEMBL8979499 0.75 ALOX5 (0.38) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979613 0.74 ATAD2 (0.40) ALOX5CYP11B1CYP11B2CYP1A2
SCHEMBL9271466 0.73 ALOX5 (0.45) ALOX5TRIM24CYP11B1CYP11B2CYP17A1
SCHEMBL9275295 0.73 ALOX5 (0.45) ALOX5TRIM24CYP11B1CYP11B2CYP17A1
SCHEMBL2107548 0.73 ALOX5 (0.43) ALOX5TRIM24CYP11B1CYP11B2CYP17A1
SCHEMBL8979603 0.73 ALOX5 (0.34) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979556 0.72 GAA (0.31) ALOX5
SCHEMBL8979547 0.71 ALOX5 (0.33) ALOX5CYP11B1CYP11B2TRPV1

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