SCHEMBL5801377

SCHEMBL5801377

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
VCAM1 P19320 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CMA1 P23946 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL8102532 0.84 ALDH1A1 (0.54) LMNATDP1KMT2AMAPTMAPK1
SCHEMBL5802171 0.83 LMNA (0.45) LMNATDP1HTTVCAM1POLB
SCHEMBL5802613 0.81 HTT (0.48) LMNATDP1HTTVCAM1KMT2A
SCHEMBL5802615 0.81 HTT (0.46) LMNATDP1HTTVCAM1KMT2A
SCHEMBL5803271 0.80 HTT (0.43) LMNATDP1HTTVCAM1POLB
SCHEMBL7684242 0.77 ALDH1A1 (0.64) LMNATDP1KMT2AMAPTMAPK1
SCHEMBL5804519 0.77 HTT (0.48) LMNATDP1HTTVCAM1KMT2A
SCHEMBL5804503 0.77 HTT (0.48) LMNATDP1HTTVCAM1KMT2A
SCHEMBL948375 0.76 ALDH1A1 (0.51) LMNATDP1KMT2APOLBMAPT
SCHEMBL5803274 0.75 HTT (0.45) LMNATDP1HTTVCAM1KMT2A

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-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed