SCHEMBL4832045

SCHEMBL4832045

COc1ccc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.72
MAPT P10636 7/20 0.72
NPC1 O15118 6/20 0.72
KDM4E B2RXH2 6/20 0.69
ALDH1A1 P00352 5/20 0.69
HPGD P15428 5/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
CYP3A4 P08684 4/20 0.69
TP53 P04637 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
HSD17B10 Q99714 5/20 0.69
XDH P47989 1/20 0.62
MAOA P21397 6/20 0.57
MAOB P27338 5/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HIF1A Q16665 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL5241998 0.90 MAPT (0.74) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL7054594 0.90 KDM4E (0.83) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL1675988 0.85 RAB9A (0.71) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL29482681 0.84 RAB9A (1.00) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL571161 0.84 RAB9A (1.00) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL17718217 0.83 KDM4E (0.76) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL2971118 0.82 XDH (0.76) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL762092 0.82 MAPT (1.00) RAB9AMAPTNPC1KDM4EALDH1A1
2'-Methoxyformonetin SCHEMBL234355 0.82 KDM4E (1.00) RAB9AMAPTNPC1KDM4EALDH1A1
2'-Methoxyformonetin SCHEMBL29777010 0.82 KDM4E (1.00) RAB9AMAPTNPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323621-B2 Method of decreasing liquiritigenin-derived isoflavones relative to total isoflavones in plants and plants producing reduced ratio of liquiritigenin-derived isoflavones relative to total isoflavones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-29 US disclosed
US-20040128714-A1 Method of decreasing liquiritigenin-derived isoflavones relative to total isoflavones in plants and plants producing reduced ratio of liquiritigenin-derived isoflavones relative to total isoflavones E.I. DU PONT DE NEMOURS AND COMPANY 2004-07-01 US disclosed