SCHEMBL7383145

SCHEMBL7383145

C/C(N)=C/C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.40
EGLN1 Q9GZT9 2/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA5 P08648 2/20 0.33
ECE1 P42892 1/20 0.33
FAAH O00519 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33

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
SCHEMBL7383149 1.00 CTH (0.40) CTHEGLN1ALDH1A1MAPTLMNA
SCHEMBL232926 0.82 ALDH1A1 (0.47) CTHEGLN1ALDH1A1MAPTLMNA
SCHEMBL11049989 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL15780411 0.77
SCHEMBL11052618 0.76 KDM4E (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EHIF1A
SCHEMBL11983352 0.75 CTH (0.38) CTHEGLN1ALDH1A1MAPTLMNA
SCHEMBL7381279 0.75 MAOA (0.37) TDP1POLB
SCHEMBL7381281 0.75 MAOA (0.37) TDP1POLB
SCHEMBL11048988 0.74 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EHIF1A
SCHEMBL11047731 0.74 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EHIF1A

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
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US disclosed
US-5367081-A Vasodilator, antiallergen FUJIREBIO INC. (JP) 1994-11-22 US disclosed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP disclosed