SCHEMBL8554154

SCHEMBL8554154

C[C@H]1C[C@@](O)(c2ccc(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)s2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
TRIM24 O15164 6/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX5 P09917 3/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP11B2 P19099 3/20 0.32
PKM P14618 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
ADAM17 P78536 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
SCHEMBL2108940 0.86 TRIM24 (0.36) BRD4CREBBPTRIM24ALDH1A1GAA
SCHEMBL2107872 0.85 TRIM24 (0.34) BRD4CREBBPTRIM24ALDH1A1GAA
SCHEMBL2107553 0.85 TRIM24 (0.36) BRD4CREBBPTRIM24ALDH1A1GAA
SCHEMBL2108075 0.82 TRIM24 (0.36) BRD4CREBBPTRIM24ALDH1A1GAA
SCHEMBL8558041 0.79 ALOX5 (0.48) BRD4CREBBPTRIM24ALOX5PDE3B
SCHEMBL2108382 0.79 ALOX5 (0.48) BRD4CREBBPTRIM24ALOX5PDE3B
SCHEMBL8558044 0.79 ALOX5 (0.48) BRD4CREBBPTRIM24ALOX5PDE3B
SCHEMBL9285980 0.76 TRIM24 (0.37) BRD4CREBBPTRIM24ALDH1A1GAA
SCHEMBL9286206 0.76 TRIM24 (0.37) BRD4CREBBPTRIM24ALDH1A1GAA
SCHEMBL9285981 0.76 TRIM24 (0.37) BRD4CREBBPTRIM24ALDH1A1GAA

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