SCHEMBL4417048

SCHEMBL4417048

COc1ccc(-c2c(O)oc3cc(O)ccc3c2=O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
CYP3A4 P08684 4/20 0.56
HSD17B10 Q99714 3/20 0.56
NOD2 Q9HC29 1/20 0.54
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
MEN1 O00255 3/20 0.53
TP53 P04637 3/20 0.53
KMT2A Q03164 3/20 0.53
MAOA P21397 2/20 0.53
CYP2D6 P10635 2/20 0.53
BCL2 P10415 1/20 0.53
MAOB P27338 1/20 0.53
IL2 P60568 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1B1 Q16678 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL571524 0.87 MAOA (0.59) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL8867576 0.82 MAOA (0.69) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL5116883 0.81 NPC1 (0.75) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL9052961 0.80 CA1 (0.71) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL7155818 0.77 ALDH1A1 (0.74) MAPTKDM4EALDH1A1HPGDCYP3A4
Xenognosin B SCHEMBL72611 0.77 KDM4E (0.83) MAPTKDM4EALDH1A1HPGDCYP3A4
Xenognosin B SCHEMBL30851576 0.77 KDM4E (0.83) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL29239575 0.77 KDM4E (0.63) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL2946452 0.76 ALDH1A1 (0.71) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL30991582 0.76 ALDH1A1 (0.71) MAPTKDM4EALDH1A1HPGDCYP3A4

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
US-7501556-B2 Nutritionally enhanced plants UNILEVER PATENT HOLDINGS B.V. (NL) 2009-03-10 US disclosed
US-20050241014-A1 Nutritionally enhanced plants UNILEVER PATENT HOLDINGS B.V. (NL) 2005-10-27 US disclosed
EP-1478757-A2 PRODUCTION OF DADZEIN IN TRANSGENIC PLANTS UNILEVER PLC (GB) 2004-11-24 EP disclosed
WO-2003072790-A2 PRODUCTION OF DADZEIN IN TRANSGENIC PLANTS UNILEVER PLC (GB) 2003-09-04 WO disclosed