SCHEMBL5801804

SCHEMBL5801804

COC(=O)c1ccc(Cl)c(C(C)(C(=O)OC)c2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
VCAM1 P19320 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.41
CMA1 P23946 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL5802478 1.00 LMNA (0.46) LMNAVCAM1TDP1MAPTPOLB
SCHEMBL5806417 1.00 LMNA (0.46) LMNAVCAM1TDP1MAPTPOLB
SCHEMBL5802848 0.91 TSHR (0.46) LMNATDP1MAPTPOLBHTT
SCHEMBL5802842 0.91 TSHR (0.46) LMNATDP1MAPTPOLBHTT
SCHEMBL5802845 0.91 TSHR (0.46) LMNATDP1MAPTPOLBHTT
SCHEMBL5802840 0.91 TSHR (0.46) LMNATDP1MAPTPOLBHTT
SCHEMBL5804956 0.91 LMNA (0.46) LMNAVCAM1TDP1MAPTPOLB
SCHEMBL5803222 0.91 LMNA (0.46) LMNAVCAM1TDP1MAPTPOLB
SCHEMBL5802841 0.88 HTT (0.38) LMNAVCAM1TDP1MAPTPOLB
SCHEMBL5804422 0.87 NPSR1 (0.44) LMNATDP1MAPTPOLBHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006082452-A1 OPTICALLY ACTIVE DIARYL ACETIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION SANOFI-AVENTIS (FR) 2006-08-10 WO disclosed
WO-2006082453-A1 RACEMIC AND OPTICALLY ACTIVE 4-CHLORO-3-(5-CHLORO-3-ALKYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)BENZOIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-10 WO disclosed
WO-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed