SCHEMBL5511946

SCHEMBL5511946

CCC=CCC1OC1CC=CCCCCCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
EPHX2 P34913 2/20 0.51
CNR1 P21554 4/20 0.50
CNR2 P34972 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.47
F7 P08709 2/20 0.45
F3 P13726 2/20 0.45
CYP19A1 P11511 2/20 0.45
OXER1 Q8TDS5 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
FFAR1 O14842 1/20 0.45
NR1I2 O75469 1/20 0.45
PLA2G1B P04054 1/20 0.45

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
SCHEMBL26371776 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3702735 0.94 EPHX2 (0.51) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3697602 0.94 EPHX2 (0.51) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3699655 0.91 MAPT (0.53) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL26371774 0.91 MAPT (0.56) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL26371778 0.91 EPHX2 (0.48) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL9441213 0.91 MAPT (0.56) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL291932 0.87 MAPT (0.55) ALDH1A1ALOX15HSD17B10TDP1EPHX2
SCHEMBL16884634 0.87 MAPT (0.55) ALDH1A1ALOX15HSD17B10TDP1EPHX2
SCHEMBL2825440 0.87 MAPT (0.55) ALDH1A1ALOX15HSD17B10TDP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309698-B1 A CYTOCHROME P450 ENZYME ASSOCIATED WITH THE SYNTHESIS OF DELTA-12 -EPOXY GROUPS IN FATTY ACIDS OF PLANTS DU PONT (US) 2007-04-18 EP disclosed
US-20040139499-A1 Cytochrome P450 dependent enzyme associated with the synthesis of the epoxy group of vernolic acid CAHOON EDGAR B (US) 2004-07-15 US disclosed
EP-1309698-A2 A CYTOCHROME P450 ENZYME ASSOCIATED WITH THE SYNTHESIS OF DELTA-12 -EPOXY GROUPS IN FATTY ACIDS OF PLANTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-14 EP disclosed
US-20030066103-A1 Cytochrome P450 enzyme associated with the synthesis of delta12-epoxy groups in fatty acids of plants E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-03 US disclosed
WO-2002008269-A2 A CYTOCHROME P450 ENZYME ASSOCIATED WITH THE SYNTHESIS OF Δ12-EPOXY GROUPS IN FATTY ACIDS OF PLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-31 WO disclosed