SCHEMBL7110718

SCHEMBL7110718

CCc1c([O])cccc1COC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGIR P43119 8/20 0.38
PTGDR Q13258 6/20 0.38
NPSR1 Q6W5P4 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 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
SCHEMBL7110589 0.90 CHRM4 (0.38) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7107853 0.88 ATM (0.41) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7110721 0.86 ATM (0.40) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7106164 0.83 L3MBTL1 (0.41) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL17092997 0.81 ATM (0.53) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7105745 0.81 L3MBTL1 (0.41) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7104989 0.81 ATM (0.41) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7104164 0.80 CHRM4 (0.39) CHRM4CHRM3ATMTDP1L3MBTL1
SCHEMBL7110593 0.79 ATM (0.38) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7107854 0.77 ATM (0.41) CHRM4CHRM3ATMTDP1L3MBTL1

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