SCHEMBL7658648

SCHEMBL7658648

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
P2RX7 Q99572 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7655302 0.84 CNR2 (0.50) LMNAPOLBALDH1A1HPGDP2RX7
SCHEMBL7654531 0.83 LMNA (0.47) LMNAPOLBALDH1A1HPGDP2RX7
SCHEMBL7108548 0.82 SCN10A (0.37) LMNAALDH1A1HPGDKDM4E
SCHEMBL18157911 0.80 KMT2A (0.61) LMNAPOLBALDH1A1HPGDP2RX7
SCHEMBL7104694 0.78 HPGD (0.37) LMNAPOLBALDH1A1HPGD
SCHEMBL7654754 0.77 LMNA (0.66) LMNAPOLBALDH1A1HPGDP2RX7
SCHEMBL12194924 0.75 KDM4E (0.55) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL31432073 0.75 KDM4E (0.55) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL7107812 0.74 POLB (0.47) LMNAPOLBP2RX7KDM4EALOX15
SCHEMBL7661497 0.73 ALDH1A1 (0.46) LMNAPOLBALDH1A1KDM4E

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