SCHEMBL20144648

SCHEMBL20144648

C=C(C)C(=O)NCCC(=O)OCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TOP2A P11388 2/20 0.40
EPHX2 P34913 3/20 0.38
ACHE P22303 1/20 0.38
THRB P10828 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PLA2G2A P14555 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
DNM1 Q05193 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL20541917 0.86 DGKA (0.43) DGKAALDH1A1TOP2AEPHX2ACHE
SCHEMBL10081654 0.86 GAA (0.50) ALDH1A1TOP2ATHRBMGAMGAA
SCHEMBL1107070 0.85 DGKA (0.34) DGKAACHETHRBADRA2AADRA1A
SCHEMBL20379689 0.84 ADRA2A (0.41) DGKAALDH1A1ACHETHRBTSHR
SCHEMBL30390050 0.83 DGKA (0.53) DGKAALDH1A1EPHX2ACHETSHR
SCHEMBL16385886 0.82 THRB (0.39) DGKAALDH1A1ACHETHRBTSHR
SCHEMBL30388860 0.82 DGKA (0.61) DGKAALDH1A1EPHX2ACHETSHR
SCHEMBL5813089 0.82 ALDH1A1 (0.44) DGKAALDH1A1GLATOP2AEPHX2
SCHEMBL8024768 0.81 DGKA (0.64) DGKAALDH1A1EPHX2TSHRPLA2G2A
SCHEMBL14996268 0.80 TSHR (0.48) ALDH1A1EPHX2TSHRMGAMGAA

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
EP-2102708-B1 CURABLE COMPOSITION, COLOR FILTER, AND MANUFACTURING METHOD OF THE SAME FUJIFILM CORP (JP) 2018-05-16 EP disclosed