SCHEMBL27713019

SCHEMBL27713019

O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Cl)ccc2O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.67
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MITF O75030 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
THRB P10828 1/20 0.58
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
TRPV4 Q9HBA0 1/20 0.55
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL4102165 0.95 PTGDR2 (0.70) PTGDR2KDM4EALDH1A1MAPTHTT
SCHEMBL9975978 0.84 KDM4E (0.65) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL1714590 0.82 PTGDR2 (0.68) PTGDR2KDM4EALDH1A1MAPTTDP1
SCHEMBL28770778 0.82 PTGDR2 (0.69) PTGDR2KDM4EALDH1A1MAPTHTT
SCHEMBL1714744 0.82 LMNA (0.81) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL27712886 0.81 PTGDR2 (0.71) PTGDR2SMN1; SMN2L3MBTL1MEN1ALOX15
SCHEMBL13800181 0.81 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1TP53
SCHEMBL27693395 0.81 PTGDR2 (0.71) PTGDR2KDM4EALDH1A1MAPTHTT
SCHEMBL27712976 0.81 PTGDR2 (0.71) PTGDR2KDM4EALDH1A1MAPTHTT
SCHEMBL27712890 0.81 PTGDR2 (0.71) PTGDR2SMN1; SMN2L3MBTL1MEN1ALOX15

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
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN disclosed