SCHEMBL30099797

SCHEMBL30099797

O=C(NCCOCCOCCNC(=O)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
RAB9A P51151 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.59
EPHX1 P07099 5/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 2/20 0.57
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
FPR2 P25090 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL26661968 0.92 ALDH1A1 (0.55) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL16449003 0.90 ALDH1A1 (0.63) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL38660570 0.88 EPHX1 (0.60) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL26662004 0.86 ALDH1A1 (0.50) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL11051077 0.85 EPHX1 (0.70) ALDH1A1LMNARAB9ASMN1; SMN2EPHX1
SCHEMBL6904069 0.84 EPHX1 (0.57) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL10090175 0.84 LMNA (0.63) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL17346768 0.83 NPSR1 (0.72) ALDH1A1LMNARAB9ASMN1; SMN2EPHX1
SCHEMBL19173002 0.83 RAB9A (0.50) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL10595904 0.83 MTNR1A (0.63) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023277164-A1 ADDITIVE FOR ELECTROLYTE SOLUTIONS, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE 昭和電工マテリアルズ株式会社 2023-01-05 WO disclosed