SCHEMBL8750844

SCHEMBL8750844

COC(=O)C=Cc1ccc(OCC(O)CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TYR P14679 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KDM1A O60341 1/20 0.51
GSK3B P49841 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
APP P05067 3/20 0.47
PTPN1 P18031 1/20 0.47
FDPS P14324 1/20 0.46
TTR P02766 1/20 0.46
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
JAK2 O60674 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL8750788 0.87 TDP1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11547633 0.86 PTGS2 (0.56) CA12CA1CA2TYRCA7
SCHEMBL8750907 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7769013 0.86 CA12 (0.55) CA12CA1CA2TYRCA7
SCHEMBL8750883 0.83 FDPS (0.62) CA12CA1CA2TYRCA7
SCHEMBL14634609 0.82 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL14634610 0.82 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL8750908 0.82 AR (0.45) GSK3BMAPTKDM4EAPPLMNA
SCHEMBL25197350 0.82 MAOB (0.68) MAPTLMNAALDH1A1
SCHEMBL9135929 0.81 FDPS (0.70) MAPTKDM4EAPPFDPSLMNA

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-0539601-B1 CINNAMIC ACID/GLYCEROL ADDUCT, ULTRAVIOLET ABSORBER, AND DERMATOLOGIC PREPARATION SHISEIDO CO LTD (JP) 1997-04-09 EP disclosed
EP-0539601-A1 CINNAMIC ACID/GLYCEROL ADDUCT, ULTRAVIOLET ABSORBER, AND DERMATOLOGIC PREPARATION SHISEIDO COMPANY LIMITED (JP) 1993-05-05 EP disclosed