SCHEMBL9523803

SCHEMBL9523803

C=C(CC(=O)O)NCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.46
KDM4E B2RXH2 2/20 0.38
PLA2G2A P14555 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 4/20 0.38
EGLN1 Q9GZT9 2/20 0.38
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
PRMT1 Q99873 1/20 0.38
ADRA1A P35348 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM6B O15054 1/20 0.33
KDM5C P41229 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
SCHEMBL18553375 0.75
SCHEMBL15063182 0.75 ECE1 (0.46) ECE1KDM4EPLA2G2AHTTLMNA
SCHEMBL429295 0.74
SCHEMBL27858651 0.74 ECE1 (0.70) ECE1KDM4EPLA2G2AHTTLMNA
SCHEMBL16938643 0.73 PRMT1 (0.64) ECE1KDM4EPLA2G2AHTTLMNA
SCHEMBL501649 0.73
SCHEMBL907324 0.71 PLA2G2A (0.48) ECE1KDM4EPLA2G2AHTTLMNA
SCHEMBL10770813 0.70
SCHEMBL9717431 0.70 ECE1 (0.65) ECE1KDM4ELMNAEGLN1ALKBH5
SCHEMBL9717468 0.70 ECE1 (0.81) ECE1KDM4EPLA2G2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487903-B1 PROCESS FOR THE PREPARATION OF 1,3 PROPANEDIOL Degussa Aktiengesellschaft (DE) 1993-04-14 EP claimed
US-5171898-A Hydration of acrolein followed by hydrogenation of formed hydroxyaldehyde; using chelate-forming ion exchange resins, with iminoacid anchoring groups DEGUSSA AKTIENGESELLSCHAFT (DE) 1992-12-15 US claimed