SCHEMBL7107093

SCHEMBL7107093

Cc1c(O)cccc1COC(=O)N(c1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.48
EPHX1 P07099 2/20 0.44
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNA5 P22460 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7106168 0.89 ATM (0.41) PTGIREPHX1TDP1CHRM4CHRM5
SCHEMBL7107090 0.89 PTGIR (0.48) PTGIREPHX1NOTUMHTTSGMS2
SCHEMBL7654170 0.84 PTGIR (0.52) PTGIREPHX1NOTUMSGMS2
SCHEMBL7106164 0.76 L3MBTL1 (0.41) PTGIREPHX1HTTLMNAKMT2A
SCHEMBL4186177 0.76 EPHX1 (0.60) EPHX1NOTUMKCNA5
SCHEMBL7110721 0.74 ATM (0.40) PTGIRTDP1CHRM4CHRM5CHRM1
SCHEMBL17092997 0.74 ATM (0.53) PTGIRHTTKMT2ATDP1CHRM2
SCHEMBL7105749 0.74 ATM (0.41) PTGIRHTTKMT2ATDP1
SCHEMBL7104991 0.74 ATM (0.41) PTGIRHTTKMT2ATDP1CHRM4
SCHEMBL7104169 0.73 ATM (0.39) PTGIRTDP1CHRM2CHRM4CHRM5

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 2 patents. 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
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed