SCHEMBL9717465

SCHEMBL9717465

O=C(CC(=O)NCCCO)NCCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CNR1 P21554 2/20 0.43
PTGS1 P23219 1/20 0.42
KCNH2 Q12809 1/20 0.42
ECE1 P42892 1/20 0.41
EPHX2 P34913 1/20 0.39
HTT P42858 1/20 0.39
CASP2 P42575 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 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
SCHEMBL3429965 0.86
SCHEMBL9717412 0.86 NAAA (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL2415212 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL620134 0.83 NAAA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL9717404 0.83 TSHR (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL6940499 0.83 NAAA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL6433502 0.83
SCHEMBL12834799 0.83 NAAA (0.65) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL5469546 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL18628612 0.81

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
US-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed