SCHEMBL8557760

SCHEMBL8557760

CC1CC(O)(c2csc(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c2)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 6/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALOX5 P09917 2/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
ADAM17 P78536 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL2108940 0.89 TRIM24 (0.36) TRIM24BRD4CREBBPALDH1A1GAA
SCHEMBL8553939 0.85 TRIM24 (0.36) TRIM24BRD4CREBBPALDH1A1GAA
SCHEMBL8556602 0.80 TRIM24 (0.36) TRIM24BRD4CREBBPALDH1A1GAA
SCHEMBL8552201 0.78 ALOX5 (0.52) TRIM24BRD4CREBBPPDE3BPDE3A
SCHEMBL8554154 0.76 BRD4 (0.38) TRIM24BRD4CREBBPALDH1A1GAA
SCHEMBL2107553 0.75 TRIM24 (0.36) TRIM24BRD4CREBBPALDH1A1GAA
SCHEMBL8558059 0.75
SCHEMBL2108075 0.73 TRIM24 (0.36) TRIM24BRD4CREBBPALDH1A1GAA
SCHEMBL8553658 0.71 MAP2K1 (0.31)
SCHEMBL2107872 0.70 TRIM24 (0.34) TRIM24BRD4CREBBPALDH1A1GAA

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