SCHEMBL8557326

SCHEMBL8557326

C[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(c2cccc(Sc3ccc4c(c3)CCC(=O)N4)c2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.34
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MMP12 P39900 1/20 0.32
RAB9A P51151 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
CYP2C9 P11712 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL8557200 0.88 CYP1A2 (0.33) CYP1A2CYP11B1CYP11B2
SCHEMBL8558182 0.81 ALOX5 (0.34)
SCHEMBL8554600 0.81 KCNH2 (0.40) KIF11NPC1MAPTMMP12RAB9A
SCHEMBL8552091 0.73
SCHEMBL8556250 0.73 CHRNA1 (0.34)
SCHEMBL8554535 0.73
SCHEMBL9380138 0.72 HSD11B1 (0.34)
SCHEMBL9382942 0.72 HSD11B1 (0.34)
SCHEMBL9100200 0.71 ALOX5 (0.54) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL8555696 0.69 CYP1A2 (0.34) CYP1A2CYP11B1CYP11B2

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 5 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-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US 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