SCHEMBL4841617

SCHEMBL4841617

COc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
RAB9A P51151 10/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
NPC1 O15118 8/20 1.00
LMNA P02545 5/20 1.00
PPARG P37231 3/20 0.69
PPARD Q03181 3/20 0.69
PPARA Q07869 3/20 0.69
ALDH1A1 P00352 8/20 0.69
CYP3A4 P08684 5/20 0.69
XDH P47989 1/20 0.65
KDM4E B2RXH2 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TP53 P04637 3/20 0.64
HPGD P15428 3/20 0.64
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL10564937 0.84 RAB9A (0.72) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL1675988 0.83 RAB9A (0.71) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL571576 0.83 XDH (0.84) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL13904574 0.83 NPC1 (0.70) MAPTRAB9ASMN1; SMN2NPC1LMNA
Pseudobaptogenin SCHEMBL73016 0.81 PPARG (1.00) MAPTRAB9ASMN1; SMN2NPC1LMNA
Derrustone SCHEMBL13657435 0.81 SMN1; SMN2 (1.00) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL29365787 0.81 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL571161 0.80 RAB9A (1.00) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL29482681 0.80 RAB9A (1.00) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5504492 0.80 MAPT (0.82) MAPTRAB9ASMN1; SMN2NPC1LMNA

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
WO-2009026657-A1 FLAVONOID PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed
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