SCHEMBL7554472

SCHEMBL7554472

COc1c(O)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.85
ALDH1A1 P00352 4/20 0.70
MAPK1 P28482 2/20 0.70
MAPT P10636 4/20 0.67
KDM4E B2RXH2 2/20 0.67
POLB P06746 2/20 0.67
CYP3A4 P08684 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ABCB1 P08183 1/20 0.65
PKM P14618 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
GAA P10253 1/20 0.64
KIT P10721 1/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
ELANE P08246 1/20 0.64
GABRP O00591 1/20 0.63
GABRD O14764 1/20 0.63
NPC1 O15118 1/20 0.63

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
SCHEMBL7554410 0.95 PPARG (0.81) PPARGALDH1A1MAPK1MAPTKDM4E
SCHEMBL7552521 0.93 PPARG (0.78) PPARGALDH1A1MAPK1MAPTKDM4E
SCHEMBL30213777 0.92 PPARG (0.90) PPARGALDH1A1MAPK1MAPTKDM4E
Xanthomicrol SCHEMBL6257160 0.92 PPARG (1.00) PPARGALDH1A1MAPK1MAPTKDM4E
SCHEMBL2622796 0.92 PPARG (0.85) PPARGALDH1A1MAPK1MAPTKDM4E
SCHEMBL30051182 0.92 PPARG (0.85) PPARGALDH1A1MAPK1MAPTKDM4E
SCHEMBL30683238 0.89 PPARG (0.85) PPARGALDH1A1MAPK1MAPTKDM4E
SCHEMBL2180082 0.89 PPARG (0.85) PPARGALDH1A1MAPK1MAPTKDM4E
Isothymusin SCHEMBL31483965 0.88 PPARG (0.87) PPARGALDH1A1MAPK1MAPTKDM4E
Isothymusin SCHEMBL694063 0.88 PPARG (0.87) PPARGALDH1A1MAPK1MAPTKDM4E

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
WO-2002053152-A1 COMPOSITION CONTAINING FLAVONOIDS FOR TREATMENT BRAIN DISORDERS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) 2002-07-11 WO disclosed
US-4532254-A Inhibitor of aldose reductase KAKEN PHARMACEUTICAL CO., LTD. (JP) 1985-07-30 US disclosed