SCHEMBL14729207

SCHEMBL14729207

C/C(=C\CCCCO)CCCO

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 6/20 0.65
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.43
UGT1A1 P22309 1/20 0.43
ICMT O60725 1/20 0.38
PTPN1 P18031 1/20 0.35

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
SCHEMBL29051900 0.92 SQLE (0.68) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL15975345 0.89 SQLE (0.59) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL19850534 0.85 SQLE (0.58) SQLEKMT2AMAPTMEN1ALOX15
SCHEMBL8618707 0.84 SQLE (0.81) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8618704 0.84 SQLE (0.81) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL6768879 0.84 SQLE (0.81) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL6768881 0.84 SQLE (0.81) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8947231 0.82 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8624130 0.82 SQLE (0.78) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL9168757 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052301-A1 CHEWING GUM COMPOSITIONS WM. WRIGLEY JR. COMPANY 2013-02-28 US disclosed