SCHEMBL8553527

SCHEMBL8553527

C[C@H]1C[C@@](O)(c2cc(F)cc(F)c2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRNG P07510 1/20 0.39
CHRND Q07001 1/20 0.39
ALOX5 P09917 3/20 0.35
SLC6A4 P31645 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL9197051 1.00 CHRNA1 (0.39) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL9212534 0.79 ALOX5 (0.49) ALOX5
SCHEMBL9212748 0.79 ALOX5 (0.49) ALOX5
SCHEMBL9212541 0.79 ALOX5 (0.49) ALOX5
SCHEMBL9458556 0.79 ALOX5 (0.37) ALOX5
SCHEMBL9380947 0.79 GRIN2B (0.32) ALOX5
SCHEMBL9457918 0.79 ALOX5 (0.40) SLC6A2SLC6A3ALOX5SLC6A4
SCHEMBL9275418 0.78 LMNA (0.40) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL9275422 0.78 LMNA (0.40) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL9273117 0.77 MAPT (0.33) 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 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