SCHEMBL8557006

SCHEMBL8557006

CCC1CC(O)(c2cccc(I)c2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRND Q07001 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
SCHEMBL8557008 1.00 HCAR3 (0.32) HCAR3HCAR2MEN1KMT2AALOX5
SCHEMBL27540488 0.82 HCAR3 (0.34) HCAR3HCAR2ALOX5SLC6A2SLC6A4
SCHEMBL8554976 0.82 HCAR3 (0.34) HCAR3HCAR2ALOX5SLC6A2SLC6A4
SCHEMBL9382242 0.77 ALOX5 (0.33) ALOX5
SCHEMBL9384084 0.77 ALOX5 (0.33) ALOX5
SCHEMBL9221365 0.73 ALOX5 (0.55) ALOX5
SCHEMBL9221375 0.73 ALOX5 (0.55) ALOX5
SCHEMBL10323222 0.71 PDE2A (0.35) HCAR3HCAR2ALOX5
SCHEMBL8555580 0.69 ALOX5 (0.42) ALOX5
SCHEMBL15020188 0.67 NR4A2 (0.39) HCAR3HCAR2SLC6A2SLC6A4SLC6A3

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