SCHEMBL9136455

SCHEMBL9136455

COC(=O)C=Cc1ccc(OC)c(OCC(O)CO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.63
EPHX2 P34913 1/20 0.56
NFE2L2 Q16236 1/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
JAK2 O60674 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
AGTR1 P30556 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL9135929 0.95 FDPS (0.70) FDPSEPHX2NFE2L2KDM4EALDH1A1
SCHEMBL8750883 0.95 FDPS (0.62) FDPSEPHX2NFE2L2KDM4EALDH1A1
SCHEMBL9135717 0.92 FDPS (0.55) FDPSNFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9134277 0.90 FDPS (0.65) FDPSNFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9133548 0.87 FDPS (0.61) FDPSNFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9134291 0.87 NFE2L2 (0.51) FDPSNFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL10075933 0.85 FDPS (0.58) FDPSNFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9136500 0.85 FDPS (0.72) FDPSNFE2L2KDM4EALDH1A1MAPT
SCHEMBL8750912 0.84 FDPS (0.50) FDPSKDM4EALDH1A1SMN1; SMN2JAK2
SCHEMBL8750874 0.83 FDPS (0.62) FDPSKDM4EALDH1A1GAAMAPT

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
US-5426210-A Water soluble sunscreen agents SHISEIDO CO., LTD. (JP) 1995-06-20 US disclosed
EP-0539601-A1 CINNAMIC ACID/GLYCEROL ADDUCT, ULTRAVIOLET ABSORBER, AND DERMATOLOGIC PREPARATION SHISEIDO COMPANY LIMITED (JP) 1993-05-05 EP disclosed