SCHEMBL9458685

SCHEMBL9458685

CC1CC(O)(c2cccc(Sc3ccc(C(C)(C)C)cc3)c2)CCO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.33
GRIN2B Q13224 7/20 0.32
HSD11B1 P28845 1/20 0.32
P4HB P07237 1/20 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
SCHEMBL9380130 1.00 ALOX5 (0.33) ALOX5GRIN2BHSD11B1P4HB
SCHEMBL9384084 0.86 ALOX5 (0.33) ALOX5GRIN2BHSD11B1
SCHEMBL9382242 0.86 ALOX5 (0.33) ALOX5GRIN2BHSD11B1
SCHEMBL9380947 0.85 GRIN2B (0.32) ALOX5GRIN2B
SCHEMBL9458197 0.84 SLC6A4 (0.35) ALOX5
SCHEMBL9270822 0.83 HPGD (0.44) ALOX5
SCHEMBL9270825 0.83 HPGD (0.44) ALOX5
SCHEMBL9382942 0.83 HSD11B1 (0.34) ALOX5HSD11B1
SCHEMBL9380138 0.83 HSD11B1 (0.34) ALOX5HSD11B1
SCHEMBL9269820 0.82 POLB (0.32) ALOX5

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-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed