SCHEMBL4577704

SCHEMBL4577704

CC(O)CC(C)O.O=C(O)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
PRNP P04156 1/20 0.44
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
F2R P25116 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL1785227 1.00 ALDH1A1 (0.46) ALDH1A1HPGDALOX15PRNPMAPT
Propylene Glycol SCHEMBL5085714 0.89 ALDH1A1 (0.46) ALDH1A1HPGDALOX15PRNPMAPT
SCHEMBL5081262 0.87 ALDH1A1 (0.50) ALDH1A1HPGDALOX15PRNPMAPT
Methyl Alcohol SCHEMBL38658039 0.82 ALDH1A1 (0.59) ALDH1A1HPGDALOX15PRNPMAPT
SCHEMBL49806 0.82 ALDH1A1 (0.65) ALDH1A1HPGDALOX15PRNPMAPT
SCHEMBL5082140 0.81 ALDH1A1 (0.45) ALDH1A1HPGDALOX15PRNPMAPT
SCHEMBL17799574 0.80 ALDH1A1 (0.62) ALDH1A1HPGDALOX15PRNPMAPT
SCHEMBL8613579 0.80 ALDH1A1 (0.62) ALDH1A1HPGDALOX15PRNPMAPT
SCHEMBL2112435 0.80 ALDH1A1 (0.62) ALDH1A1HPGDALOX15PRNPMAPT
Hydrochloric Acid SCHEMBL1586914 0.80 ALDH1A1 (0.62) ALDH1A1HPGDALOX15PRNPMAPT

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-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed