SCHEMBL7499651

SCHEMBL7499651

CC(=O)Oc1ccc(C2COc3cc(OC(C)=O)cc(OC(C)=O)c3C2O)cc1.COc1cc(C2COc3c(ccc(OC(C)=O)c3C)C2O)ccc1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
ACHE P22303 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32

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
SCHEMBL2069332 0.88 NR3C1 (0.48) CYP3A4NR3C1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2069096 0.88 NR3C1 (0.48) CYP3A4NR3C1ALDH1A1SMN1; SMN2TSHR
SCHEMBL12957537 0.86 CYP3A4 (0.46) CYP3A4NR3C1ALDH1A1USP2TSHR
SCHEMBL4438143 0.86 CYP3A4 (0.46) CYP3A4NR3C1ALDH1A1USP2TSHR
SCHEMBL1037733 0.86 CYP3A4 (0.46) CYP3A4NR3C1ALDH1A1USP2TSHR
SCHEMBL2071317 0.85 LMNA (0.37) CYP3A4NR3C1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2072017 0.85 LMNA (0.37) CYP3A4NR3C1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2072015 0.85 LMNA (0.37) CYP3A4NR3C1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2069335 0.85 LMNA (0.37) CYP3A4NR3C1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL7504255 0.83 CYP3A4 (0.53) CYP3A4NR3C1ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP claimed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP claimed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO claimed