SCHEMBL11554841

SCHEMBL11554841

CC/C(C)=C/CCC/C(C)=C/CCO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 6/20 0.48
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
UGT1A1 P22309 1/20 0.39
ICMT O60725 1/20 0.35
KDM1A O60341 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL11554846 1.00 SQLE (0.48) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11546067 0.87 KMT2A (0.54) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11546064 0.87 KMT2A (0.54) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11552881 0.86 SQLE (0.56) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11552883 0.86 SQLE (0.56) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11592900 0.86
SCHEMBL11592903 0.86
SCHEMBL14627656 0.83 SQLE (0.59) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11547920 0.81 SQLE (0.38) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11547600 0.81 SQLE (0.38) 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-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed