SCHEMBL8777951

SCHEMBL8777951

CC(C)(C)c1cc(CCCBr)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
GAA P10253 4/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
GMNN O75496 1/20 0.50

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
SCHEMBL8712483 0.93 GAA (0.49) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL4593788 0.88 ALDH1A1 (0.55) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL283499 0.88 ALDH1A1 (0.59) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL8751536 0.88 ALDH1A1 (0.59) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL18193748 0.86 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL18193749 0.86 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL8751548 0.86 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL3762751 0.86 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL8751545 0.86 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL17588977 0.86 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105505525-B Phenol amine antioxidants, preparation method and application 中国科学院宁波材料技术与工程研究所 2018-09-11 CN disclosed
CN-105505525-A Phenolic amine antioxidant and preparation method and application thereof NINGBO INST MAT TECH & ENG CAS 2016-04-20 CN disclosed
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 US disclosed
CN-1036772-A phenol substituted gem-diphosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1989-11-01 CN disclosed
US-4192796-A PHOTOSTABILITY AND HEAT RESISTANCE AMERICAN CYANAMID COMPANY (US) 1980-03-11 US disclosed