SCHEMBL7553469

SCHEMBL7553469

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CYP3A4 P08684 3/20 0.37
PTPN1 P18031 1/20 0.36
ACHE P22303 2/20 0.35
KMT2A Q03164 2/20 0.34
GBA1 P04062 1/20 0.34
KIF11 P52732 1/20 0.34
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33

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 1.00 LMNA (0.40) LMNACYP3A4PTPN1ACHEKMT2A
SCHEMBL2072034 1.00 LMNA (0.40) LMNACYP3A4PTPN1ACHEKMT2A
SCHEMBL2069840 1.00 LMNA (0.40) LMNACYP3A4PTPN1ACHEKMT2A
SCHEMBL2071208 1.00 LMNA (0.40) LMNACYP3A4PTPN1ACHEKMT2A
SCHEMBL7500189 0.93 CYP3A4 (0.39) LMNACYP3A4PTPN1KMT2ASMN1; SMN2
SCHEMBL4427157 0.89 ACHE (0.37) LMNACYP3A4PTPN1ACHEGBA1
SCHEMBL4427159 0.89 ACHE (0.37) LMNACYP3A4PTPN1ACHEGBA1
SCHEMBL2072017 0.88 LMNA (0.37) LMNACYP3A4PTPN1ACHEKMT2A
SCHEMBL2071317 0.88 LMNA (0.37) LMNACYP3A4PTPN1ACHEKMT2A
SCHEMBL2069335 0.88 LMNA (0.37) LMNACYP3A4PTPN1ACHEKMT2A

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