SCHEMBL7116196

SCHEMBL7116196

CCOc1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.61
RAB9A P51151 7/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GLA P06280 4/20 0.55
NPC1 O15118 6/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 3/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 3/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CYP1A2 P05177 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53

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
SCHEMBL7160713 0.86 NPC1 (0.69) MIFRAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL23713558 0.82 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2GLANPC1
SCHEMBL7114353 0.81 MIF (0.60) MIFRAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL23713535 0.80 RAB9A (0.51) MIFRAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL23713542 0.80 RAB9A (0.51) RAB9AALDH1A1SMN1; SMN2GLANPC1
SCHEMBL7116863 0.77 KDM4E (0.66) RAB9AALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL7123290 0.77 NPC1 (0.74) MIFRAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL23713525 0.77 GLA (0.54) RAB9AALDH1A1SMN1; SMN2GLANPC1
SCHEMBL24176811 0.77 MAOB (0.76) RAB9AALDH1A1SMN1; SMN2GLANPC1
SCHEMBL7124845 0.76 MIF (0.70) MIFRAB9AALDH1A1SMN1; SMN2GLA

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