SCHEMBL5603630

SCHEMBL5603630

CC(C)=CCCC(C)=CCCC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 7/20 0.80
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.68
MEN1 O00255 2/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
ALDH1A1 P00352 1/20 0.68
UGT1A1 P22309 1/20 0.68
ICMT O60725 1/20 0.58
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL3096216 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL17554341 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8625012 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8622512 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL24940711 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8625008 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL24940873 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL16221426 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL24940909 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL3096208 1.00 SQLE (0.80) 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
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 WO disclosed