SCHEMBL1301692

SCHEMBL1301692

C/C(=C\CO)CC/C=C(\C)CCCO

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 6/20 0.73
KMT2A Q03164 3/20 0.68
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
PTPN1 P18031 1/20 0.46
ICMT O60725 1/20 0.44
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 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
SCHEMBL1301694 1.00 SQLE (0.73) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL29770496 0.84 KMT2A (0.65) SQLEKMT2AMAPTMEN1CYP3A4
Trisnorsqualene Alcohol SCHEMBL2587282 0.84 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8425939 0.84 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL20449625 0.84 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL16451625 0.84 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
Trisnorsqualene Alcohol SCHEMBL2587286 0.84 SQLE (1.00) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL29051900 0.83 SQLE (0.68) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL9474794 0.83 KMT2A (0.63) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL9474790 0.83 KMT2A (0.63) 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
WO-2015128428-A1 PHEROMONE DISPENSER MADE OF PLASTIC MATERIAL BASF SE (DE) 2015-09-03 WO disclosed
EP-2384111-A1 PHEROMONE DISPENSER BASF SE (DE) 2011-11-09 EP disclosed
US-20110266361-A1 PHEROMONE DISPENSER BASF SE (DE) 2011-11-03 US disclosed
WO-2010076316-A1 PHEROMONE DISPENSER BASF SE (DE) 2010-07-08 WO disclosed