SCHEMBL6504100

SCHEMBL6504100

CCCCCCCCCCCCCCC(O)C1(O)C(=O)C=CC1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD4 Q53EL6 4/20 0.37
▸ DNTT P04053 2/20 0.34
▸ GLS2 Q9UI32 2/20 0.34
▸ TOP1 P11387 3/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ NR4A2 P43354 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ PRKCA P17252 2/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ GPR84 Q9NQS5 4/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.32

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
SCHEMBL6505924 0.86 PDCD4 (0.39) PDCD4DNTTGLS2TOP1POLB
SCHEMBL29970207 0.86 PDCD4 (0.39) PDCD4DNTTGLS2TOP1POLB
SCHEMBL6505925 0.86 PDCD4 (0.39) PDCD4DNTTGLS2TOP1POLB
SCHEMBL6527430 0.83 PDCD4 (0.36) PDCD4DNTTGLS2TOP1TRPA1
SCHEMBL30375807 0.79 PDCD4 (0.40) PDCD4DNTTTOP1TRPA1NR4A2
SCHEMBL18191881 0.79 PDCD4 (0.40) PDCD4DNTTTOP1TRPA1NR4A2
SCHEMBL6528440 0.74 DNTT (0.36) DNTTPOLBPOLA1PRKCAPRKD3
SCHEMBL6528441 0.74 DNTT (0.36) DNTTPOLBPOLA1PRKCAPRKD3
SCHEMBL6528438 0.74 DNTT (0.36) DNTTPOLBPOLA1PRKCAPRKD3
SCHEMBL6528851 0.73 PDCD4 (0.42) PDCD4DNTTGLS2TOP1POLB

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-2005080311-A1 HYGROPHORONES AND DERIVATIVES THEREOF LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) 2005-09-01 — — WO disclosed
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