SCHEMBL13976301

SCHEMBL13976301

CC(C)=CCC/C(C)=C/CC1=CCC(C=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
MAOB P27338 2/20 0.40
PTGS1 P23219 2/20 0.39
ALOX5 P09917 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
UGT1A1 P22309 1/20 0.39
TRPA1 O75762 1/20 0.39
PTPN1 P18031 1/20 0.39
BACE1 P56817 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
SCHEMBL10812465 0.88 FNTA (0.56) PLA2G2AFNTAFNTBKMT2AMEN1
SCHEMBL10812462 0.88 FNTA (0.56) PLA2G2AFNTAFNTBKMT2AMEN1
SCHEMBL29626008 0.81 ALDH1A1 (0.53) FNTAFNTBKMT2AMEN1CYP3A4
SCHEMBL214415 0.81 ALDH1A1 (0.53) FNTAFNTBKMT2AMEN1CYP3A4
SCHEMBL19717960 0.81 ALDH1A1 (0.53) FNTAFNTBKMT2AMEN1CYP3A4
SCHEMBL13976292 0.80 FNTA (0.42) PLA2G2AFNTAFNTBKMT2AMEN1
SCHEMBL29179222 0.73 ALDH1A1 (0.34) FNTAFNTBKMT2AMEN1ALOX15
SCHEMBL8780535 0.72 ALDH1A1 (0.42) FNTAFNTBKMT2AMEN1ALOX15
SCHEMBL27015580 0.71 FNTA (0.55) PLA2G2AFNTAFNTBKMT2AMEN1
SCHEMBL12502150 0.71 FNTA (0.55) PLA2G2AFNTAFNTBKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028307-A1 DERIVATIVES OF HYDROCARBON TERPENES Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 WO disclosed