SCHEMBL8554039

SCHEMBL8554039

CN1C(=O)CCc2cc(Sc3cc(C4(O)CC5CCC(C4)O5)cs3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.51
TRIM24 O15164 2/20 0.36
CYP11B1 P15538 7/20 0.34
CYP11B2 P19099 7/20 0.34
CYP1A2 P05177 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ADAM17 P78536 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL8554978 0.95 ALOX5 (0.46) ALOX5TRIM24CYP11B1CYP11B2
SCHEMBL8552201 0.89 ALOX5 (0.52) ALOX5TRIM24CYP11B1CYP11B2CYP1A2
SCHEMBL2109207 0.82 ALOX5 (0.49) ALOX5TRIM24CYP11B1CYP11B2CYP1A2
SCHEMBL8555746 0.79 ALOX5 (0.54) ALOX5TRIM24CYP11B1CYP11B2CYP1A2
SCHEMBL8556621 0.78 ALOX5 (0.50) ALOX5TRIM24CYP11B1CYP11B2CYP1A2
SCHEMBL8553939 0.74 TRIM24 (0.36) ALOX5TRIM24CYP11B1CYP11B2
SCHEMBL9088351 0.73 ALOX5 (0.72) ALOX5TRIM24CYP11B1CYP11B2CYP1A2
SCHEMBL1445372 0.73 ALOX5 (0.41) ALOX5TRIM24
SCHEMBL7608078 0.73 ALOX5 (0.41) ALOX5TRIM24
SCHEMBL1445371 0.73 ALOX5 (0.41) ALOX5TRIM24

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed