SCHEMBL7104989

SCHEMBL7104989

[O]c1cccc(COC(=O)N(c2ccccc2)c2ccccc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGIR P43119 11/20 0.39
PTGDR Q13258 8/20 0.39
CHRM4 P08173 2/20 0.38
CHRM3 P20309 2/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
PTGER1 P34995 1/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL7104991 0.86 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL17092997 0.83 ATM (0.53) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7105745 0.83 L3MBTL1 (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7106164 0.83 L3MBTL1 (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7107853 0.82 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7110718 0.81 CHRM4 (0.40) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7657611 0.80 PTGIR (0.49) TDP1L3MBTL1PTGIRPTGDRALDH1A1
SCHEMBL7104164 0.80 CHRM4 (0.39) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7110589 0.79 CHRM4 (0.38) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL16965822 0.75 L3MBTL1 (0.53) ATMTDP1L3MBTL1PTGIRPTGDR

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-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed