SCHEMBL6879248

SCHEMBL6879248

COc1cc(/C=C/C(=O)O)ccc1OCCCCO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.76
ACHE P22303 4/20 0.71
ALDH1A1 P00352 2/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
SNCA P37840 2/20 0.67
GAA P10253 1/20 0.67
KMT2A Q03164 1/20 0.67
FDPS P14324 3/20 0.65
APP P05067 2/20 0.63
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
PKM P14618 1/20 0.58
CSNK2A2 P19784 1/20 0.58
CA4 P22748 1/20 0.58

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
SCHEMBL8410643 0.99 KDM4E (0.74) KDM4EACHEALDH1A1HPGDALOX15
SCHEMBL7552212 0.99 KDM4E (0.74) KDM4EACHEALDH1A1HPGDALOX15
SCHEMBL13168868 0.93 KDM4E (0.82) KDM4EACHEALDH1A1HPGDALOX15
SCHEMBL13168869 0.93 KDM4E (0.82) KDM4EACHEALDH1A1HPGDALOX15
Cinametic Acid SCHEMBL11681943 0.92 KDM4E (0.80) KDM4EACHEALDH1A1HPGDALOX15
Cinametic Acid SCHEMBL29926813 0.92 KDM4E (0.80) KDM4EACHEALDH1A1HPGDALOX15
Cinametic Acid SCHEMBL555131 0.92 KDM4E (0.80) KDM4EACHEALDH1A1HPGDALOX15
SCHEMBL13168863 0.92 KDM4E (0.84) KDM4EACHEALDH1A1HPGDALOX15
SCHEMBL11686969 0.91 KDM4E (0.71) KDM4EACHEALDH1A1HPGDALOX15
SCHEMBL11686963 0.91 KDM4E (0.71) KDM4EACHEALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409563-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2004-04-21 EP claimed
WO-2003008472-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2003-01-30 WO claimed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP claimed
EP-1409563-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2004-04-21 EP disclosed
WO-2003008472-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2003-01-30 WO disclosed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP disclosed