SCHEMBL8556514

SCHEMBL8556514

CCN1C(=O)CCc2cc(S(=O)(=O)c3cccc([C@@]4(O)CCO[C@@H](C)C4)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2107553 0.89 TRIM24 (0.36) ALDH1A1GAALMNACYP1A2CYP11B1
SCHEMBL2108821 0.83 ATAD2 (0.40) ATAD2LMNACYP1A2CYP11B1CYP11B2
SCHEMBL8553372 0.79 PKM (0.42) ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL8557669 0.78 TRIM24 (0.35) CYP11B1CYP11B2
SCHEMBL8979492 0.78 ATAD2 (0.39) ATAD2ALDH1A1GAALMNACYP1A2
SCHEMBL2108075 0.78 TRIM24 (0.36) ALDH1A1GAACYP11B1CYP11B2
SCHEMBL8552161 0.77 MAP2K1 (0.32)
SCHEMBL9286206 0.77 TRIM24 (0.37) ALDH1A1GAALMNACYP1A2CYP11B1
SCHEMBL9285980 0.77 TRIM24 (0.37) ALDH1A1GAALMNACYP1A2CYP11B1
SCHEMBL9285989 0.77 TRIM24 (0.37) ALDH1A1GAALMNACYP1A2CYP11B1

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