SCHEMBL27712976

SCHEMBL27712976

CC1CN(S(=O)(=O)c2ccccc2)CCN1Cc1cc(Cl)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.71
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27693395 1.00 PTGDR2 (0.71) PTGDR2KDM4EALDH1A1TSHRMAPK1
SCHEMBL1714383 0.84 PTGDR2 (0.78) PTGDR2ALDH1A1
SCHEMBL1714382 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL1713928 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL27833995 0.83 PTGDR2 (0.76) PTGDR2ALDH1A1
SCHEMBL27713019 0.81 PTGDR2 (0.67) PTGDR2KDM4EALDH1A1TSHRMAPK1
SCHEMBL27712886 0.79 PTGDR2 (0.71) PTGDR2TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL27712890 0.79 PTGDR2 (0.71) PTGDR2TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL27693139 0.79 PTGDR2 (0.71) PTGDR2TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL4102165 0.77 PTGDR2 (0.70) PTGDR2KDM4EALDH1A1TSHRMAPK1

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