SCHEMBL3756356

SCHEMBL3756356

CCOC(=O)Cc1ccc(-c2cccc(COC)c2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
ERN1 O75460 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PPARG P37231 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL2592720 0.84 HTR7 (0.56) FFAR1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL3760956 0.79 CNR2 (0.49) FFAR1ERN1SMN1; SMN2ALDH1A1
SCHEMBL2587585 0.78 SELP (0.47) FFAR1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL8339408 0.77 HTR7 (0.41) FFAR1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL8710187 0.76 PPARA (0.52) PPARGPPARA
SCHEMBL908271 0.75 ABL1 (0.59) SMN1; SMN2NPC1L3MBTL1ALDH1A1KMT2A
SCHEMBL31225595 0.74 L3MBTL1 (0.48) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL31053236 0.74 ABL1 (0.56) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL15056738 0.74 ABL1 (0.56) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL4182154 0.74 CYP1A1 (0.61) FFAR1SMN1; SMN2ALDH1A1PPARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842324-B2 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2010-11-30 US disclosed
EP-1907353-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx Inc. (US) 2008-04-09 EP disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 US disclosed
WO-2006138512-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-12-28 WO disclosed