SCHEMBL7118017

SCHEMBL7118017

COc1cccc(C2(OC)CC(=O)c3ccccc3O2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP19A1 P11511 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK7 P49862 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2C P28335 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7154660 0.86 MAOB (0.47) PPIBALDH1A1KDM4ECYP19A1SMN1; SMN2
SCHEMBL2120395 0.85 ATM (0.44) PPIBKDM4ECYP19A1SMN1; SMN2MAPT
SCHEMBL28387593 0.84 ALDH1A1 (0.54) PPIBALDH1A1KDM4ECYP19A1SMN1; SMN2
SCHEMBL28354444 0.82 PPIB (0.43) PPIBALDH1A1KDM4ECYP19A1SMN1; SMN2
SCHEMBL3221175 0.76 L3MBTL1 (0.44) CYP19A1MAPTL3MBTL1MAOBNPC1
SCHEMBL27609740 0.73 MAPT (0.57) PPIBALDH1A1KDM4EKLK7MAPT
SCHEMBL7133925 0.73 ALDH1A1 (0.57) ALDH1A1KDM4ECYP19A1SMN1; SMN2MAPT
SCHEMBL11013389 0.73 MEN1 (0.43) ALDH1A1
SCHEMBL7075441 0.72 MAOB (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL27798681 0.72 KDM4E (0.39) PPIBALDH1A1KDM4ESMN1; SMN2KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed