SCHEMBL431528

SCHEMBL431528

O=CC(O)Cc1ccc(OCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
NR1I2 O75469 1/20 0.41
FFAR1 O14842 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL22774127 0.82 TP53 (0.50) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL4187800 0.82 TP53 (0.50) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL27300528 0.81 ACACB (0.52) ALDH1A1ADRB2ADRB1ADRB3FFAR1
SCHEMBL1129444 0.77 ADRB2 (0.50) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL1058446 0.77 ALDH1A1 (0.52) ALDH1A1RECQLGAANR1I2FFAR1
SCHEMBL14311446 0.77 GAA (0.50) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL357219 0.75 GAA (0.45) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL10608872 0.75 ALDH1A1 (0.50) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL28784947 0.75 NR1I2 (0.50) ALDH1A1RECQLGAAADRB2ADRB1
SCHEMBL30462512 0.74 LMNA (0.49) ALDH1A1NR1I2LMNAL3MBTL1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012011737-A2 MAGNETIC NANOPARTICLE TUBE AND CARTRIDGE USING THE SAME AND METHOD OF MANUFACTURING THE SAME LG INNOTEK CO., LTD. (KR) 2012-01-26 WO claimed
WO-2012011737-A2 MAGNETIC NANOPARTICLE TUBE AND CARTRIDGE USING THE SAME AND METHOD OF MANUFACTURING THE SAME LG INNOTEK CO., LTD. (KR) 2012-01-26 WO disclosed