SCHEMBL7500189

SCHEMBL7500189

CC(=O)Oc1cccc(C2COc3c(ccc(OC(C)=O)c3C)C2O)c1.COc1ccc(C2COc3c(ccc(OC(C)=O)c3C)C2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HIF1A Q16665 1/20 0.36
PKM P14618 2/20 0.36
EDNRB P24530 1/20 0.35

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
SCHEMBL2072032 0.93 LMNA (0.40) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL2071208 0.93 LMNA (0.40) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL2069840 0.93 LMNA (0.40) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL7553469 0.93 LMNA (0.40) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL2072034 0.93 LMNA (0.40) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL2069577 0.92 CYP3A4 (0.38) CYP3A4MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL2069182 0.92 CYP3A4 (0.38) CYP3A4MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL2071317 0.88 LMNA (0.37) CYP3A4MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2069335 0.88 LMNA (0.37) CYP3A4MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2072015 0.88 LMNA (0.37) CYP3A4MAPTALDH1A1KMT2ASMN1; SMN2

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