SCHEMBL3789794

SCHEMBL3789794

COc1cc(C=CC(=O)O)c(OC)c(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.65
HSD17B10 Q99714 2/20 0.65
HTR1A P08908 1/20 0.65
HTR2C P28335 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
NFE2L2 Q16236 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47

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
SCHEMBL3789790 1.00 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2744224 0.88 NFE2L2 (0.66) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL19328293 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL22660986 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28562989 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28562986 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6852559 0.83 NFE2L2 (0.69) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6852555 0.83 NFE2L2 (0.69) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL285231 0.83 ABCG2 (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL285232 0.83 ABCG2 (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A

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-2170250-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS BASF SE (DE) 2010-04-07 EP disclosed
EP-2099530-A1 UV ABSORBER FORMULATIONS Ciba Holding Inc. (CH) 2009-09-16 EP disclosed
WO-2009016064-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS BASF SE (CH) 2009-02-05 WO disclosed
WO-2008080892-A1 UV ABSORBER FORMULATIONS CIBA HOLDING INC. (CH) 2008-07-10 WO disclosed