SCHEMBL7107090

SCHEMBL7107090

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.48
EPHX1 P07099 2/20 0.44
HTT P42858 1/20 0.40
NOTUM Q6P988 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
ALDH1A1 P00352 1/20 0.35
KCNA5 P22460 1/20 0.35
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
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
SCHEMBL7106164 0.89 L3MBTL1 (0.41) PTGIREPHX1HTTLMNAKMT2A
SCHEMBL7107093 0.89 PTGIR (0.48) PTGIREPHX1HTTNOTUMSGMS2
SCHEMBL7654170 0.84 PTGIR (0.52) PTGIREPHX1NOTUMSGMS2
SCHEMBL7106168 0.76 ATM (0.41) PTGIREPHX1TDP1CHRM4CHRM3
SCHEMBL4186177 0.76 EPHX1 (0.60) EPHX1NOTUMKCNA5
SCHEMBL7110718 0.74 CHRM4 (0.40) PTGIRHTTLMNAKMT2ATDP1
SCHEMBL17092997 0.74 ATM (0.53) PTGIRHTTKMT2ATDP1ALDH1A1
SCHEMBL7105745 0.74 L3MBTL1 (0.41) PTGIRHTTKMT2ATDP1ALDH1A1
SCHEMBL7104989 0.74 ATM (0.41) PTGIRHTTKMT2ATDP1ALDH1A1
SCHEMBL7104164 0.73 CHRM4 (0.39) PTGIRLMNATDP1CHRM4CHRM3

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