SCHEMBL9344455

SCHEMBL9344455

COCCOCCOCCOCCOCc1ccc(Br)cc1COCCOCCOCCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLA P06280 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30674161 1.00 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL20745462 1.00 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL3372566 0.83 KDM4E (0.49) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL8421522 0.83 PYCR1 (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7959537 0.83 SLC6A4 (0.36) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL3156920 0.82 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL4588928 0.81 POLB (0.41) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL30517254 0.81 POLB (0.41) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL9344483 0.78 PYCR1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1THRB
SCHEMBL7375526 0.78 HPGD (0.45) ALDH1A1MAPTKDM4EL3MBTL1THRB

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