SCHEMBL4675231

SCHEMBL4675231

O=C(O)Oc1cccc(COc2ccc(-c3ccccc3[N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAOB P27338 1/20 0.41
PTGES O14684 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.38
EIF4E P06730 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PPARG P37231 1/20 0.37
ADAMTS4 O75173 1/20 0.37
GPBAR1 Q8TDU6 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
SCHEMBL3562475 0.85 MRGPRX4 (0.58) LMNAALDH1A1TDP1HRH2HRH1
SCHEMBL4671589 0.83 EIF4E (0.42) ALDH1A1TDP1HRH2HRH1MAOB
SCHEMBL4677512 0.83 KCNH2 (0.53) LMNAALDH1A1KCNH2MRGPRX4NPC1
SCHEMBL4671340 0.75 TDP1 (0.45) LMNAALDH1A1TDP1HRH2HRH1
SCHEMBL3562225 0.75 MAOB (0.54) LMNAALDH1A1TDP1HRH2HRH1
SCHEMBL3557707 0.75 MRGPRX4 (0.57) MRGPRX4RAB9A
SCHEMBL3555525 0.74 MMP13 (0.46) ALDH1A1TDP1HRH2HRH1NPC1
SCHEMBL3566374 0.70 NR4A2 (0.49) ALDH1A1TDP1HRH2HRH1MAOB
SCHEMBL3569402 0.70 POLB (0.67) LMNAALDH1A1TDP1PTGESMEN1
SCHEMBL1423453 0.67 PDE10A (0.58)

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-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed