SCHEMBL6153863

SCHEMBL6153863

CCCCCCC(F)COc1ccccc1C=[N+]([O-])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARA Q07869 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BCHE P06276 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL6155476 0.81 CYP1A2 (0.46) L3MBTL1MEN1NR1I2LMNACHRM2
SCHEMBL10383939 0.77 LMNA (0.37) PPARGMEN1NR1I2LMNACHRM2
SCHEMBL5549224 0.76 ALDH1A1 (0.44) L3MBTL1MEN1LMNAMAPTKMT2A
SCHEMBL9488066 0.73 PPARG (0.37) PPARGL3MBTL1MEN1NR1I2LMNA
SCHEMBL9488200 0.72 LMNA (0.42) PPARGMEN1NR1I2LMNACHRM2
SCHEMBL7897440 0.72 ALDH1A1 (0.37) L3MBTL1MEN1LMNAMAPTKMT2A
SCHEMBL6155219 0.71 ALDH1A1 (0.39) L3MBTL1MEN1LMNAMAPTKMT2A
SCHEMBL7091621 0.70 CCNB2 (0.50) L3MBTL1MEN1LMNACYP3A4MAPT
SCHEMBL10384182 0.69 PPARG (0.40) PPARGMEN1NR1I2LMNACHRM2
SCHEMBL9145900 0.69 LTA4H (0.49) NR1I2LMNACHRM2CYP3A4ADRA2A

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-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP claimed