SCHEMBL4570542

SCHEMBL4570542

Nc1ccc(Oc2cc(N)ccc2OC(=O)CC(O)C(=O)O)c(OC(=O)CC(O)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
ALDH1A1 P00352 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
KMO O15229 1/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL927520 0.77 THRA (0.37) ALOX15ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL1551321 0.70 ALDH1A1 (0.48) ALOX15ALDH1A1PTGDR2GAASMN1; SMN2
SCHEMBL20581735 0.68 ALDH1A1 (0.47) ALOX15ALDH1A1PTGDR2GAATNF
SCHEMBL20581734 0.68 ALDH1A1 (0.47) ALOX15ALDH1A1PTGDR2GAATNF
SCHEMBL5711904 0.66 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KDM4ETSHR
SCHEMBL6247630 0.66 TSHR (0.58) ALDH1A1GAAKDM4ETSHRRAB9A
Malic Acid SCHEMBL174846 0.65 KDM6B (0.51) ALOX15ALDH1A1KMOGAASMN1; SMN2
Malic Acid SCHEMBL4570540 0.65 KDM6B (0.51) ALOX15ALDH1A1KMOGAASMN1; SMN2
SCHEMBL9167266 0.65 ALOX15 (0.62) ALOX15ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL6860845 0.64 PTGS1 (0.66) ALDH1A1GAASMN1; SMN2KDM4ETSHR

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