SCHEMBL9717419

SCHEMBL9717419

O=C(O)CCCNC(=O)CC(=O)NCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.60
ATM Q13315 1/20 0.57
PRMT1 Q99873 1/20 0.56
ADRA1A P35348 1/20 0.52
LMNA P02545 4/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
TSHR P16473 2/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
PLA2G4A P47712 1/20 0.47
KDM4E B2RXH2 1/20 0.46
EPHX2 P34913 3/20 0.46

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
SCHEMBL2806091 0.90 ATM (0.57) ECE1ATMPRMT1ADRA1ALMNA
SCHEMBL2811862 0.87 PRMT1 (0.60) ATMPRMT1ADRA1ALMNATSHR
SCHEMBL30410272 0.87 ATM (0.55) ECE1ATMPRMT1ADRA1ALMNA
SCHEMBL12999626 0.87 ATM (0.55) ATMPRMT1ADRA1ALMNASLC22A6
SCHEMBL9717385 0.87 TSHR (0.59) ECE1ATMPRMT1ADRA1ALMNA
SCHEMBL2553506 0.86 ADRA1A (0.55) ECE1ATMPRMT1ADRA1ALMNA
SCHEMBL23794425 0.85 ALDH1A1 (0.65) ECE1ATMPRMT1ADRA1ALMNA
SCHEMBL31317673 0.85 PRMT1 (0.64) ATMPRMT1ADRA1ALMNATSHR
SCHEMBL19607968 0.85 ATM (0.53) ECE1ATMPRMT1ADRA1ALMNA
SCHEMBL31317706 0.85 PRMT1 (0.64) ATMPRMT1ADRA1ALMNATSHR

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