SCHEMBL7110593

SCHEMBL7110593

CCCc1c(O)cccc1COC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
IAPP P10997 1/20 0.36

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
SCHEMBL7110721 0.90 ATM (0.40) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7110589 0.87 CHRM4 (0.38) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7107854 0.85 ATM (0.41) ATMTDP1L3MBTL1PPARGPTGIR
SCHEMBL7653394 0.82 PTGIR (0.46) TDP1L3MBTL1PTGIRPTGDR
SCHEMBL7106168 0.81 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7110718 0.79 CHRM4 (0.40) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL17092997 0.79 ATM (0.53) ATMTDP1L3MBTL1PPARGPTGIR
SCHEMBL7104991 0.79 ATM (0.41) ATMTDP1L3MBTL1PPARGPTGIR
SCHEMBL7105749 0.79 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7104169 0.78 ATM (0.39) 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