SCHEMBL6236201

SCHEMBL6236201

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.71
FNTB P49356 5/20 0.71
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 4/20 0.52
ALOX15 P16050 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 3/20 0.47
TRPA1 O75762 1/20 0.47
POLB P06746 1/20 0.47
UGT1A1 P22309 1/20 0.47

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
SCHEMBL6236208 1.00 FNTA (0.71) FNTAFNTBKDM4EATMKMT2A
SCHEMBL5747098 0.87 FNTA (0.62) FNTAFNTBKDM4EATMKMT2A
SCHEMBL5745333 0.87 FNTA (0.62) FNTAFNTBKDM4EATMKMT2A
SCHEMBL5745343 0.87 FNTA (0.62) FNTAFNTBKDM4EATMKMT2A
SCHEMBL31412852 0.85 FNTA (0.66) FNTAFNTBKDM4EATMKMT2A
SCHEMBL29255676 0.85 FNTA (0.66) FNTAFNTBKDM4EATMKMT2A
SCHEMBL28971396 0.85 FNTA (0.66) FNTAFNTBKDM4EATMKMT2A
SCHEMBL9129708 0.85 FNTA (0.96) FNTAFNTBKDM4EATMKMT2A
SCHEMBL8625931 0.85 FNTA (0.96) FNTAFNTBKDM4EATMKMT2A
SCHEMBL8625937 0.85 FNTA (0.96) FNTAFNTBKDM4EATMKMT2A

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-2005012210-A2 ANTIMICROBIAL ACTIVE PREPARATIONS CONTAINING TERPENE DERIVATIVES DR. ANDRE RIEKS - LABOR FÜR ENZYMTECHNOLOGIE GMBH (DE) 2005-02-10 WO disclosed