SCHEMBL7122333

SCHEMBL7122333

COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
ALDH1A1 P00352 8/20 0.68
KDM4E B2RXH2 7/20 0.68
RAB9A P51151 5/20 0.68
KMT2A Q03164 2/20 0.68
STAT1 P42224 2/20 0.68
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
ERAP1 Q9NZ08 1/20 0.67
MAPT P10636 4/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 2/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
GAA P10253 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
SCHEMBL7123957 0.92 NPC1 (0.80) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7120381 0.89 ABCB1 (0.59) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7117556 0.89 ALDH1A1 (0.67) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7157591 0.86 NPC1 (0.69) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL27076573 0.86 NPC1 (0.69) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL4805077 0.86 NPC1 (0.65) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7115028 0.86 NPC1 (0.69) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7117813 0.86 ALDH1A1 (0.64) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL13819275 0.85 ALDH1A1 (0.63) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL6629979 0.85 NPC1 (0.64) NPC1ALDH1A1KDM4ERAB9AKMT2A

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