SCHEMBL4014515

SCHEMBL4014515

COc1ccc(N(C(=O)O)S(=O)(=O)c2cccc(C#CCO)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OXTR P30559 1/20 0.38

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
SCHEMBL4007168 0.91 PTGDR2 (0.43) PTGDR2KMT2ATP53HCRTR1HCRTR2
SCHEMBL1864812 0.87 PTGER1 (0.37) PTGDR2KMT2ATP53HCRTR1HCRTR2
SCHEMBL4014559 0.84 LMNA (0.41) PTGDR2KMT2AALDH1A1MAPK1LMNA
SCHEMBL1856515 0.80 MAPT (0.44) KMT2ATP53HCRTR1HCRTR2MAPT
SCHEMBL1860465 0.78 PTGDR2 (0.38) PTGDR2KMT2ATP53HCRTR1HCRTR2
SCHEMBL4011688 0.77 PTGDR2 (0.43) PTGDR2KMT2AALDH1A1LMNAMEN1
SCHEMBL3466973 0.75 CA12 (0.42) PTGDR2KMT2ATP53HCRTR2MAPT
SCHEMBL1857094 0.74 F2 (0.40) PTGDR2KMT2ALMNAHTTCA12
SCHEMBL4008265 0.74 LMNA (0.41) PTGDR2KMT2AALDH1A1MAPK1LMNA
SCHEMBL6799209 0.73 MAPT (0.52) KMT2ATP53MAPTTHRBALDH1A1

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
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO disclosed