SCHEMBL8554600

SCHEMBL8554600

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.40
KIF11 P52732 3/20 0.36
GRIN2B Q13224 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
MMP12 P39900 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL8555696 0.85 CYP1A2 (0.34)
SCHEMBL8553372 0.82 PKM (0.42) KCNH2PKM
SCHEMBL2107548 0.81 ALOX5 (0.43) PDE3BPDE3A
SCHEMBL8557326 0.81 KIF11 (0.34) KCNH2KIF11PDE3BPDE3ANPC1
SCHEMBL2108821 0.79 ATAD2 (0.40) MAPT
SCHEMBL9458685 0.79 ALOX5 (0.33) GRIN2B
SCHEMBL9380130 0.79 ALOX5 (0.33) GRIN2B
SCHEMBL8557705 0.79 ALOX5 (0.32)
SCHEMBL9458197 0.78 SLC6A4 (0.35)
SCHEMBL2108067 0.78 CREBBP (0.36) PKM

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