SCHEMBL2903308

SCHEMBL2903308

CCC1(CC)C(=O)OC(c2cc(OC)c(OC)c(OC)c2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PTAFR P25105 2/20 0.41
ACHE P22303 2/20 0.40
PTPN1 P18031 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ABCB1 P08183 2/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2797809 0.87 SIRT1 (0.44) KMT2AMEN1PTPN1ALDH1A1HPGD
SCHEMBL9246592 0.84 CDK1 (0.44) PTAFRACHEALDH1A1KDM4E
SCHEMBL5180445 0.75 ELANE (0.51) KMT2AMEN1PTGS2ALDH1A1KDM4E
SCHEMBL11678651 0.73 HSD11B1 (0.46) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL3229576 0.70 ELANE (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8104489 0.68 SIRT1 (0.40) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL11101046 0.66 ACHE (0.58) KMT2AMEN1PTAFRACHEPTPN1
SCHEMBL11503879 0.66 MEN1 (0.56) KMT2AMEN1PTAFRACHEPTPN1
SCHEMBL7351311 0.65 NFKB1 (0.57) KMT2AMEN1PTAFRACHEPTPN1
SCHEMBL13414990 0.64 ACHE (0.54) KMT2AMEN1PTAFRACHEPTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747773-B1 Photostable organic sunscreen compositions with antioxidant properties MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
EP-1952843-A1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom Merck Patent GmbH (DE) 2008-08-06 EP disclosed
EP-1747773-A2 Photostable organic sunscreen compositions with antioxidant properties Merck Patent GmbH (DE) 2007-01-31 EP disclosed
EP-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP disclosed