SCHEMBL14673324

SCHEMBL14673324

O=C(O)C1=CC(=Cc2cc(C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)cc(C(=O)O)c2O)C=CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C9 P02748 3/20 1.00
AGO2 Q9UKV8 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
HSPD1 P10809 2/20 0.45
THRB P10828 2/20 0.45
ALOX15 P16050 2/20 0.45
BRCA1 P38398 2/20 0.45
RECQL P46063 2/20 0.45
HSPE1 P61604 2/20 0.45
HIF1A Q16665 2/20 0.45
IKBKB O14920 1/20 0.45
RGS12 O14924 1/20 0.45

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
SCHEMBL9755165 0.71 KDM4E (0.67) C9AGO2KDM4EALDH1A1HPGD
SCHEMBL12880701 0.66 PTPN1 (0.50) C9AGO2KDM4EALDH1A1HPGD
SCHEMBL9314378 0.65 ALDH1A1 (0.59) C9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9654462 0.65 ALDH1A1 (0.59) C9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11489364 0.64 ALDH1A1 (0.57) C9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11481523 0.63 KDM4E (0.56) C9AGO2KDM4EALDH1A1HPGD
Aurintricarboxylic Acid SCHEMBL98495 0.62 MEN1 (1.00) C9AGO2KDM4EALDH1A1HPGD
Aurintricarboxylic Acid SCHEMBL29353681 0.62 MEN1 (1.00) C9AGO2KDM4EALDH1A1HPGD
Aurintricarboxylic Acid SCHEMBL29450069 0.62 MEN1 (1.00) C9AGO2KDM4EALDH1A1HPGD
SCHEMBL5992669 0.62 AGO2 (1.00) C9AGO2KDM4EALDH1A1HPGD

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-2872130-A1 SELECTIVE INHIBITION OF THE MEMBRANE ATTACK COMPLEX OF COMPLEMENT AND C3 CONVERTASE BY LOW MOLECULAR WEIGHT COMPONENTS OF THE AURIN TRICARBOXYLIC ACID SYNTHETIC COMPLEX Aurin Biotech Inc. (CA) 2015-05-20 EP disclosed
WO-2014009779-A1 SELECTIVE INHIBITION OF THE MEMBRANE ATTACK COMPLEX OF COMPLEMENT AND C3 CONVERTASE BY LOW MOLECULAR WEIGHT COMPONENTS OF THE AURIN TRICARBOXYLIC ACID SYNTHETIC COMPLEX AURIN BIOTECH INC. (CA) 2014-01-16 WO disclosed
US-20130035388-A1 Selective inhibition of the membrane attack complex of complement by low molecular weight components of the aurin tricarboxylic acid synthetic complex AURIN BIOTECH INC. (CA) 2013-02-07 US disclosed