SCHEMBL4740706

SCHEMBL4740706

CC(C)=CCC(/C(C)=C/CO)c1cccc(O)c1O.CC(C)=CCC/C(C)=C/C(O)c1ccc(O)c(O)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
UGT1A1 P22309 1/20 0.32
ACHE P22303 4/20 0.32
BCHE P06276 1/20 0.32
TYR P14679 1/20 0.32
APP P05067 3/20 0.31
MAOB P27338 2/20 0.31
CTSK P43235 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PTPN1 P18031 1/20 0.31
BACE1 P56817 1/20 0.31
PGR P06401 1/20 0.30
HTR1A P08908 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL1962023 0.79 PPARG (0.42) MAPTMEN1CYP3A4KMT2AALDH1A1
SCHEMBL3790805 0.76 MAOB (0.41) MAPTKMT2AALDH1A1ACHEAPP
SCHEMBL797946 0.65 MAPT (0.43) MAPTMEN1CYP3A4ALOX15KMT2A
SCHEMBL797945 0.65 MAPT (0.43) MAPTMEN1CYP3A4ALOX15KMT2A
SCHEMBL17844421 0.64 TRPV1 (0.47) MAPTMEN1CYP3A4ALOX15KMT2A
Geraniol SCHEMBL15012448 0.60 TRPA1 (0.55) MAPTMEN1CYP3A4ALOX15KMT2A
Geraniol SCHEMBL15012445 0.60 TRPA1 (0.55) MAPTMEN1CYP3A4ALOX15KMT2A
SCHEMBL15970519 0.59 ACHE (0.56) KMT2AACHEAPPMAOBPTPN1
SCHEMBL14248440 0.59 ACHE (0.56) KMT2AACHEAPPMAOBPTPN1
SCHEMBL15970483 0.59 ACHE (0.56) KMT2AACHEAPPMAOBPTPN1

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-2008095273-A2 METHOD FOR OBTENTION OF THE ENZYMATIC EXTRACT OF POTOMORPHE UMBELLATA UNIVERSIDADE ESTADUAL JÚLIO DE MESQUITA FILHO - UNESP (BR) 2008-08-14 WO disclosed