SCHEMBL9717412

SCHEMBL9717412

O=C(CCC(=O)NCCCO)NCCCO

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
CNR1 P21554 3/20 0.50
CASP2 P42575 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DNM1 Q05193 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
FAAH O00519 1/20 0.42
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL24014876 0.93 NAAA (0.61) NAAACNR1CASP2L3MBTL1MEN1
SCHEMBL6940499 0.92 NAAA (0.54) NAAACNR1CASP2L3MBTL1TSHR
SCHEMBL12834799 0.92 NAAA (0.65) NAAACNR1CASP2L3MBTL1TSHR
SCHEMBL620134 0.92 NAAA (0.54) NAAACNR1CASP2L3MBTL1TSHR
SCHEMBL9717404 0.92 TSHR (0.56) NAAACNR1CASP2L3MBTL1TSHR
SCHEMBL12565676 0.91 NAAA (0.48) NAAACNR1CASP2L3MBTL1TSHR
SCHEMBL14984043 0.90 NAAA (0.57) NAAACNR1CASP2TSHRMEN1
SCHEMBL9754512 0.87 NAAA (0.55) NAAACNR1CASP2TSHRALDH1A1
SCHEMBL9717465 0.86 MEN1 (0.48) NAAACNR1CASP2L3MBTL1TSHR
SCHEMBL16298867 0.85 NAAA (0.48) NAAACNR1CASP2L3MBTL1TSHR

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