SCHEMBL11277949

SCHEMBL11277949

CCCCCCCCCC(=O)O/N=[N+](\[O-])c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
PAM P19021 2/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL31174298 0.77 CES2 (0.54) CES2CES1KMT2AMEN1TDP1
Nitrobenzene SCHEMBL27610621 0.76 ALDH1A1 (0.52) CES2CES1KMT2AMEN1MAPT
SCHEMBL28085225 0.73 SOAT1 (0.52) KMT2AMEN1LMNAHDAC6
Dodecanoate SCHEMBL28651197 0.73 PPARG (0.55) CES2CES1KMT2AMEN1TDP1
Palmitic Acid SCHEMBL27955225 0.73 PPARG (0.55) CES2CES1KMT2AMEN1TDP1
SCHEMBL9505660 0.72 CES2 (0.49) CES2CES1KMT2AMEN1TDP1
SCHEMBL11453844 0.72 PRSS1 (0.59) CES2CES1KMT2AMEN1TDP1
Decanoic Acid SCHEMBL27592505 0.72 ALDH1A1 (0.53) CES2CES1KMT2AMEN1TDP1
SCHEMBL31312898 0.70 GAA (0.60) KMT2AMEN1TDP1L3MBTL1PPARG
SCHEMBL11622337 0.70 GAA (0.60) KMT2AMEN1TDP1L3MBTL1PPARG

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-0049333-A1 Thermoplastic resin compositions for the preparation of foams THE DOW CHEMICAL COMPANY (US) 1982-04-14 EP disclosed