SCHEMBL9343545

SCHEMBL9343545

CC(C)(O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)O)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
POLB P06746 2/20 0.59
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.53
NPC1 O15118 1/20 0.53
PKLR P30613 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.53
MAOA P21397 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL29763096 0.91 LMNA (0.76) HSD11B1LMNAGAAALDH1A1MEN1
SCHEMBL11959848 0.91 LMNA (0.76) HSD11B1LMNAGAAALDH1A1MEN1
SCHEMBL9347018 0.89 POLB (0.63) HSD11B1LMNAGAAPOLBALDH1A1
SCHEMBL12089451 0.84 GCK (0.73) HSD11B1LMNAMEN1KMT2A
SCHEMBL12088782 0.83 GCK (0.72) HSD11B1LMNAPOLBALDH1A1MEN1
SCHEMBL12550071 0.81 HSD11B1 (0.83) HSD11B1LMNAGAAALDH1A1USP2
SCHEMBL12089633 0.81 HSD11B1 (0.82) HSD11B1GAAALDH1A1MEN1KMT2A
SCHEMBL9342875 0.81 LMNA (0.57) HSD11B1LMNAGAAPOLBALDH1A1
SCHEMBL13974816 0.79 LSS (0.55)
SCHEMBL12169362 0.79 LMNA (0.73) HSD11B1LMNAGAAPOLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 EP disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 EP disclosed