SCHEMBL4783266

SCHEMBL4783266

CCCCCCCCCCCCCCCc1cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c1C(=O)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
ESR1 P03372 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3189674 0.82 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11619341 0.71 ALDH1A1 (0.44) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL11616321 0.71 ALDH1A1 (0.44) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL11614093 0.71 ALDH1A1 (0.44) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL11613406 0.71 ALDH1A1 (0.44) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL8753904 0.71 NAAA (0.52) NAAABIDMCL1BCL2L1BAK1
SCHEMBL15865140 0.71 NAAA (0.52) NAAABIDMCL1BCL2L1BAK1
SCHEMBL11667549 0.71 NAAA (0.52) NAAABIDMCL1BCL2L1BAK1
SCHEMBL11442123 0.71 NAAA (0.52) NAAABIDMCL1BCL2L1BAK1
SCHEMBL8753695 0.71 NAAA (0.52) NAAABIDMCL1BCL2L1BAK1

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-2008062436-A2 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME UNICHEM LABORATORIES LTD. (IN) 2008-05-29 WO claimed