SCHEMBL26430147

SCHEMBL26430147

C=CC/C=C\C/C=C\CCCCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.45
▸ KAT2B Q92831 1/20 0.45
▸ KAT5 Q92993 1/20 0.45
▸ KAT8 Q9H7Z6 1/20 0.45
▸ PPARA Q07869 4/20 0.42
▸ CBS P35520 1/20 0.41
▸ CNR1 P21554 4/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL26430149 0.88 PPARA (0.48) PPARACBSCNR1CYP4F2CYP4A11
SCHEMBL4449661 0.88 PPARA (0.55) EP300KAT2BKAT5KAT8PPARA
SCHEMBL26430086 0.88 PPARA (0.55) EP300KAT2BKAT5KAT8PPARA
SCHEMBL26430138 0.85 PPARA (0.56) PPARACNR1PPARGCNR2ALOX5
SCHEMBL2586853 0.80 CYP4F2 (0.43) PPARACBSCNR1CYP4F2CYP4A11
SCHEMBL16174035 0.76 PTGS2 (0.57) CBSCNR1CNR2
SCHEMBL10183039 0.74 CYP4F2 (0.58) CYP4F2CYP4A11ALOX5
SCHEMBL3296522 0.74 CBS (0.74) EP300KAT2BKAT5KAT8CBS
SCHEMBL31546163 0.74 CBS (0.74) EP300KAT2BKAT5KAT8CBS
SCHEMBL2467234 0.74 CBS (0.74) EP300KAT2BKAT5KAT8CBS

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-2023187302-A1 NOVEL PLASTICIZERS, PROCESS FOR THE PREPARATION THEREOF, AND USE THEREOF ORPIA INNOVATION (FR) 2023-10-05 — — WO disclosed
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