SCHEMBL7654531

SCHEMBL7654531

O=C(NCC(O)C(O)CO)c1cccc(C(=O)NCC(O)C(O)CO)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL8061648 0.87 ALDH1A1 (0.42) LMNAALDH1A1POLBKDM4EMEN1
SCHEMBL7655302 0.85 CNR2 (0.50) LMNAALDH1A1HPGDPOLBP2RX7
SCHEMBL7103645 0.83 SCN10A (0.35) LMNAALDH1A1HPGDKDM4E
SCHEMBL7658648 0.83 LMNA (0.50) LMNAALDH1A1HPGDPOLBP2RX7
SCHEMBL7110167 0.79 ALDH1A1 (0.38) ALDH1A1HPGDPOLBCNR2
SCHEMBL7104658 0.78 SMN1; SMN2 (0.35) LMNAALDH1A1HPGDPOLBKDM4E
SCHEMBL18157911 0.77 KMT2A (0.61) LMNAALDH1A1HPGDPOLBP2RX7
SCHEMBL7663610 0.77 P2RX7 (0.44) LMNAPOLBP2RX7KDM4EMEN1
SCHEMBL7663932 0.75 ALDH1A1 (0.44) LMNAALDH1A1POLBKDM4EMEN1
SCHEMBL7654754 0.74 LMNA (0.66) LMNAALDH1A1HPGDPOLBP2RX7

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
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed