SCHEMBL30173637

SCHEMBL30173637

CC(C)=CCC/C(C)=C/CCC(=O)O.CC(C)=CCC/C(C)=C\CCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.72
FNTB P49356 5/20 0.72
KMT2A Q03164 4/20 0.70
MAPT P10636 3/20 0.65
MEN1 O00255 3/20 0.65
TRPA1 O75762 1/20 0.65
KDM4E B2RXH2 1/20 0.63
ATM Q13315 1/20 0.63
ALOX15 P16050 3/20 0.61
CYP3A4 P08684 2/20 0.61
ALDH1A1 P00352 2/20 0.61
UGT1A1 P22309 1/20 0.61
SQLE Q14534 1/20 0.59

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
SCHEMBL10750568 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL2573231 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL29595985 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL1395165 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL5080365 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL20435504 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL458220 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL1952603 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL31652308 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL458219 1.00 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1

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
CN-109251135-B Novel organoleptic compounds 国际香料和香精公司(US) 2023-01-13 CN disclosed