SCHEMBL8750907

SCHEMBL8750907

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CYP3A4 P08684 1/20 0.51
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
FDPS P14324 1/20 0.47
MAOB P27338 4/20 0.47
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 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 0.91 TDP1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8750844 0.86 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8750874 0.84 FDPS (0.62) CA12CA1CA2CA7CA9
SCHEMBL14634503 0.83 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL14634505 0.83 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1959915 0.83 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL2043458 0.83 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL5513071 0.81 TDP1 (0.61) TDP1LMNATAS1R3TAS1R1NPC1
SCHEMBL4212357 0.81 TDP1 (0.61) TDP1LMNATAS1R3TAS1R1NPC1
SCHEMBL9134277 0.81 FDPS (0.65) CA12CA1CA2CA7CA9

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 3 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
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