SCHEMBL5143580

SCHEMBL5143580

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)CCCCCO

nearest known ligand 0.96

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 8/20 0.96
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
UGT1A1 P22309 1/20 0.61
ICMT O60725 1/20 0.53
KDM4E B2RXH2 1/20 0.50
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
Trisnorsqualene Alcohol SCHEMBL2587286 0.92 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL16451625 0.92 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8425939 0.92 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
Trisnorsqualene Alcohol SCHEMBL2587282 0.92 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL20449625 0.92 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8620471 0.90 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL9168757 0.90 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8624130 0.90 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8947231 0.90 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8620468 0.90 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4

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-7267835-B2 Sweetener and process for producing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-09-11 US disclosed
EP-1295533-B1 Sweetener and process for producing the same DAINIPPON INK & CHEMICALS (JP) 2004-07-14 EP disclosed
US-20030138538-A1 Sweetener and process for producing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1295533-A1 Sweetener and process for producing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-03-26 EP disclosed