SCHEMBL6528438

SCHEMBL6528438

CCCCCCCCCCCCCCC(=O)[C@]1(O)C(=O)C=C[C@@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ POLA1 P09884 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PRKCA P17252 6/20 0.34
▸ PRKD3 O94806 3/20 0.34
▸ PRKCG P05129 3/20 0.34
▸ PRKCB P05771 3/20 0.34
▸ PRKCH P24723 3/20 0.34
▸ PRKCE Q02156 3/20 0.34
▸ PRKCQ Q04759 3/20 0.34
▸ PRKCD Q05655 3/20 0.34
▸ PRKD1 Q15139 3/20 0.34
▸ POLM Q9NP87 1/20 0.33
▸ POLK Q9UBT6 1/20 0.33
▸ POLL Q9UGP5 1/20 0.33
▸ POLH Q9Y253 1/20 0.33

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
SCHEMBL6528440 1.00 DNTT (0.36) DNTTNLRP3PPARGPOLBPOLA1
SCHEMBL6528441 1.00 DNTT (0.36) DNTTNLRP3PPARGPOLBPOLA1
SCHEMBL6509612 0.77 NAAA (0.37) PPARGPPARDPPARAPRKCAPTPN1
SCHEMBL6508387 0.77 NAAA (0.37) PPARGPPARDPPARAPRKCAPTPN1
SCHEMBL6503493 0.77 NAAA (0.37) PPARGPPARDPPARAPRKCAPTPN1
SCHEMBL6504100 0.74 PDCD4 (0.37) DNTTPOLBPOLA1PRKCAPRKD3
SCHEMBL6505925 0.73 PDCD4 (0.39) DNTTPOLBPOLA1PRKCAPRKD3
SCHEMBL6505924 0.73 PDCD4 (0.39) DNTTPOLBPOLA1PRKCAPRKD3
SCHEMBL6507149 0.73 NAAA (0.34) PPARGPOLA1PPARDPPARAPRKCA
SCHEMBL6515153 0.73 NAAA (0.34) PPARGPOLA1PPARDPPARAPRKCA

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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