SCHEMBL7107854

SCHEMBL7107854

O=C(OCc1cccc(O)c1CO)N(c1ccccc1)c1ccccc1

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 6/20 0.39
PTGDR Q13258 5/20 0.39
CYBB P04839 1/20 0.39
AKR1B1 P15121 1/20 0.37
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 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
SCHEMBL7110721 0.88 ATM (0.40) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7107853 0.86 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7110593 0.85 ATM (0.38) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL17092997 0.82 ATM (0.53) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7106168 0.82 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7104991 0.82 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7105749 0.82 ATM (0.41) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL7653485 0.81 PTGIR (0.48) TDP1L3MBTL1PTGIRPTGDRPTGER4
SCHEMBL7104169 0.78 ATM (0.39) ATMTDP1L3MBTL1PTGIRPTGDR
SCHEMBL27484026 0.78 KMT2A (0.45) ATMTDP1L3MBTL1AKR1B1NPSR1

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