SCHEMBL4070869

SCHEMBL4070869

C=CCN(CC=C)C(=O)CC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL362773 0.85 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL1958587 0.80 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL316404 0.78 ALDH1A1 (0.76) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL9242570 0.78 ALDH1A1 (0.38) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL2877697 0.77 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL16240025 0.77 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL2343049 0.76 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL1777789 0.76 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL569861 0.75 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MAPTDPP4
SCHEMBL3652188 0.75 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MAPTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-1990015826-A1 HYDROCOLLOID POLYMER WITH IMPROVED SORPTION WEYERHAEUSER COMPANY (US) 1990-12-27 WO disclosed