SCHEMBL8553939

SCHEMBL8553939

CN1C(=O)CCCc2cc(S(=O)(=O)c3cc(C4(O)CC5CCC(C4)O5)cs3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 3/20 0.36
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX5 P09917 2/20 0.33
SCN3A Q9NY46 1/20 0.33
LMNA P02545 2/20 0.32
PKM P14618 2/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
INSR P06213 2/20 0.32
ALK Q9UM73 2/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8557760 0.85 TRIM24 (0.38) TRIM24APOBEC3AAPOBEC3GALDH1A1GAA
SCHEMBL8554978 0.79 ALOX5 (0.46) TRIM24ALOX5BMPR1BBMPR1ATGFBR1
SCHEMBL2108940 0.78 TRIM24 (0.36) TRIM24APOBEC3AAPOBEC3GALDH1A1GAA
SCHEMBL8556602 0.75 TRIM24 (0.36) TRIM24ALDH1A1GAAALOX5LMNA
SCHEMBL8554039 0.74 ALOX5 (0.51) TRIM24ALOX5CYP11B1CYP11B2
SCHEMBL31249742 0.69 TRIM24 (0.46) TRIM24ALDH1A1GAALMNAPKM
SCHEMBL19224682 0.69 TRIM24 (0.46) TRIM24ALDH1A1GAALMNAPKM
SCHEMBL8554154 0.66 BRD4 (0.38) TRIM24APOBEC3AAPOBEC3GALDH1A1GAA
SCHEMBL8558059 0.64
SCHEMBL2107553 0.64 TRIM24 (0.36) TRIM24ALDH1A1GAAALOX5LMNA

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 2 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
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