SCHEMBL16740414

SCHEMBL16740414

CCCCc1cc(CCCO)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BACE1 P56817 2/20 0.49
ALOX5 P09917 2/20 0.47
TYR P14679 1/20 0.47
BCHE P06276 1/20 0.47
KAT8 Q9H7Z6 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
IAPP P10997 1/20 0.44

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
SCHEMBL27487966 0.95 BCHE (0.52) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1024663 0.93 HPGD (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL6417139 0.91 ALOX5 (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL27465718 0.91 ALOX5 (0.55) HPGDNPC1MAPK1HTTRAB9A
Phosphine SCHEMBL28136514 0.91 HPGD (0.55) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL28055345 0.91 HPGD (0.55) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL9453884 0.90 KAT8 (0.55) HTTALOX5TYRBCHEKAT8
SCHEMBL1024270 0.89 KAT8 (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1022601 0.89 KAT8 (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL10778091 0.89 KAT8 (0.57) HPGDNPC1MAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071544-A2 MACROMOLECULAR ANTIOXIDANTS BASED ON DUAL TYPE MOIETY PER MOLECULE: STRUCTURES METHODS OF MAKING AND USING THE SAME Polnox Corporation (US) 2016-09-28 EP disclosed
WO-2015077635-A2 MACROMOLECULAR ANTIOXIDANTS BASED ON DUAL TYPE MOIETY PER MOLECULE: STRUCTURES METHODS OF MAKING AND USING THE SAME POLNOX CORPORATION (US) 2015-05-28 WO disclosed
CN-102336424-B Method for separating sodium and aluminum in circulation lye of Bayer process INST PROCESS ENG CAS 2013-10-16 CN disclosed
CN-102336423-B Method for alumina separation in chromium salt clean production INST PROCESS ENG CAS 2013-07-10 CN disclosed
CN-102336424-A Method for separating sodium and aluminum in circulation lye of Bayer process INST PROCESS ENG CAS 2012-02-01 CN disclosed
CN-102336423-A Method for alumina separation in chromium salt clean production INST PROCESS ENG CAS 2012-02-01 CN disclosed