SCHEMBL9570536

SCHEMBL9570536

C=CCC(CO)(CO)CC=C.COC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Acetic Acid SCHEMBL9219720 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL45388 0.79 TSHR (0.41) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL9570535 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
Alcohol SCHEMBL7187474 0.77 TSHR (0.35) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL24603372 0.74 TSHR (0.41) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL4556468 0.74 TSHR (0.41) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL354285 0.72 CYP2C19 (0.37) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL11323592 0.72 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
Acrylic Acid SCHEMBL29941055 0.71 LMNA (0.42) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL9570531 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1

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
JP-5299298-A None JP disclosed
JP-H05299298-A ELECTROLYTE OF ELECTROLYTIC CAPACITOR NIPPON CHEMICON CORP 1993-11-12 JP disclosed