SCHEMBL8558044

SCHEMBL8558044

C[C@@H]1C[C@@](O)(c2ccc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.48
TRIM24 O15164 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP11B2 P19099 6/20 0.32
CYP11B1 P15538 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
ADAM17 P78536 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL8558041 1.00 ALOX5 (0.48) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL2108382 1.00 ALOX5 (0.48) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL2109207 0.86 ALOX5 (0.49) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL2108142 0.85 ALOX5 (0.51) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL2107548 0.83 ALOX5 (0.43) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL8556671 0.81 MAP2K1 (0.32)
SCHEMBL8557662 0.80 ALOX5 (0.47) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL8554154 0.79 BRD4 (0.38) ALOX5TRIM24PDE3BPDE3ACYP11B2
SCHEMBL1445371 0.78 ALOX5 (0.41) ALOX5TRIM24CREBBP
SCHEMBL7608078 0.78 ALOX5 (0.41) ALOX5TRIM24CREBBP

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 1 patent. 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