SCHEMBL4570541

SCHEMBL4570541

Nc1ccc(O)c(O)c1.Nc1ccc(O)c(O)c1.O=C(O)CC(O)C(=O)OC(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.39
JUN P05412 2/20 0.38
KDM4E B2RXH2 8/20 0.36
TDP1 Q9NUW8 7/20 0.36
MAPT P10636 7/20 0.36
RECQL P46063 5/20 0.36
HSD17B10 Q99714 5/20 0.36
GAA P10253 4/20 0.36
HIF1A Q16665 3/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
PTGS2 P35354 2/20 0.36
THRB P10828 2/20 0.36
PTPN1 P18031 2/20 0.36
KDR P35968 2/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
HSPD1 P10809 1/20 0.36

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
Malic Acid SCHEMBL4570540 0.83 KDM6B (0.51) KDM6BKDM4ETDP1MAPTRECQL
Malic Acid SCHEMBL174846 0.83 KDM6B (0.51) KDM6BKDM4ETDP1MAPTRECQL
SCHEMBL24430 0.78 SMN1; SMN2 (0.52) TDP1ALOX15LMNASMN1; SMN2
SCHEMBL1179759 0.78 SMN1; SMN2 (0.52) TDP1ALOX15LMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL2586848 0.76 SMN1; SMN2 (0.50) TDP1LMNASMN1; SMN2
Malic Acid SCHEMBL14125843 0.75 SMN1; SMN2 (0.60) TDP1LMNASMN1; SMN2
SCHEMBL29144651 0.70 SMN1; SMN2 (0.41) TDP1LMNAMMP1SMN1; SMN2
SCHEMBL27705704 0.70 SMN1; SMN2 (0.41) TDP1LMNAMMP1SMN1; SMN2
SCHEMBL16421124 0.70 KDM6B (0.67) KDM6BJUNKDM4ETDP1MAPT
Succinic Acid SCHEMBL175593 0.69 KDM4E (0.53) KDM4ETDP1MAPTRECQLHSD17B10

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-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO disclosed
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO disclosed