SCHEMBL25315550

SCHEMBL25315550

CCCCCCCCCCCCc1cccc(Oc2cccc(CCCCCCCCCCCC)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 2/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
ELANE P08246 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6436687 1.00 PPARA (0.48) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL29273227 0.91 PPARA (0.58) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL7261452 0.86 MAPT (0.38) PPARAPTGS2ALOX5PPARGKAT8
SCHEMBL30570484 0.86 MAPT (0.38) PPARAPTGS2ALOX5PPARGKAT8
SCHEMBL31498833 0.81 BID (0.42) PPARAPTGS2ALOX5PPARGBID
SCHEMBL28899683 0.81 BID (0.56) PPARAPTGS2ALOX5PPARGBID
SCHEMBL29699758 0.81 BID (0.56) PPARAPTGS2ALOX5PPARGBID
SCHEMBL28319986 0.81 BID (0.56) PPARAPTGS2ALOX5PPARGBID
SCHEMBL8937848 0.81 BID (0.56) PPARAPTGS2ALOX5PPARGBID
Ethylene SCHEMBL15192683 0.79 THRA (0.53) PPARAPTGS2ALOX5PPARGTHRA

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
EP-2349442-B1 METHOD AND DEVICE FOR DETECTION OF BIOAVAILABLE DRUG CONCENTRATION IN A FLUID SAMPLE UNIV TENNESSEE RES FOUND (US) 2023-07-26 EP claimed